2,2'-Dithiobisbenzothiazole

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  • Identifiers

    CAS number
    120-78-5

    Molecular formula
    C14H8N2S4

    SMILES
    C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 62.65%
    Meaty 61.39%
    Burnt 53.95%
    Roasted 51.89%
    Earthy 49.65%
    Mushroom 46.85%
    Coffee 45.11%
    Cooked 40.75%
    Nutty 37.36%
    Savory 36.9%

     

    Flavor
    Bitter 51.55%
    Roasted 46.52%
    Coffee 36.24%
    Meaty 29.33%
    Cooked 28.16%
    Nutty 28.06%
    Sulfury 27.16%
    Scallion 24.97%
    Roast 22.2%
    Cereal 21.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    2.6 (strong acid)

    Molecular weight
    332.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    604°C

    Melting point expt.

    • 334 °F (NTP, 1992)
    • 180 °C
    • MP: 168 °C MIN /COMMERCIAL PRODUCT/

    Flash point

    • 265.45 ˚C est.
    • 518 °F (NTP, 1992)
    • 257 °C

    Solubility expt.

    • less than 0.1 mg/mL at 70 °F (NTP, 1992)
    • INSOLUBLE IN WATER; AT 25 °C LESS THAN 0.5 G/100 ML ACETONE OR BENZENE, 0.2 G/100 ML CARBON TETRACHLORIDE, 0.5 G/100 ML NAPHTHA, 0.2 G/100 ML ALCOHOL, 0.2 G/100 ML ETHER; SOMEWHAT MORE SOL IN CHLOROFORM THAN CARBON TETRACHLORIDE
    • In water, <10mg/L
    • Solubility in water: very poor

  • Synonyms

    • 120-78-5
    • 2,2'-Dithiobis(benzothiazole)
    • 2,2'-Dithiobisbenzothiazole
    • Thiofide
    • Dibenzothiazyl disulfide
    • Benzothiazyl disulfide
    • Altax
    • Benzothiazole disulfide
    • MBTS
    • Dibenzothiazolyl disulfide
    • Benzothiazolyl disulfide
    • Vulkacit DM
    • Bis(2-benzothiazyl) disulfide
    • Pneumax DM
    • Vulcafor MBTS
    • Dibenzoylthiazyl disulfide
    • Bis(benzothiazolyl) disulfide
    • 2,2'-Benzothiazyl disulfide
    • 2-Mercaptobenzothiazole disulfide
    • Dibenzothiazolyl disulphide
    • 2,2'-DIBENZOTHIAZYL DISULFIDE
    • Bis(2-benzothiazolyl) disulfide
    • Ekagom GS
    • Accel TM
    • 2-Benzothiazolyl disulfide
    • Vulkacit DM/C
    • 1,2-bis(benzo[d]thiazol-2-yl)disulfane
    • Royal MBTS
    • Benzothiazole, 2,2'-dithiobis-
    • Dibenzthiazyl disulfide
    • 2,2'-Dibenzothiazolyl disulfide
    • MBTS rubber accelerator
    • Benzothiazole, dithiobis-
    • Vulkacit dm/mgc
    • dibenzothiazol-2-yl disulfide
    • 2-Benzothiazyl disulfide
    • 2,2'-Bis(benzothiazolyl) disulfide
    • 2-Mercaptobenzothiazyl disulfide
    • 2-(1,3-Benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
    • BTS-SBT
    • Di-2-benzothiazolyl disulfide
    • 2,2-dithiobis(benzothiazole)
    • Dithiobis(benzothiazole)
    • Mercaptobenzthiazyl ether
    • Naugex MBT
    • USAF CY-5
    • 2,2'-Dithiobis(1,3-benzothiazole)
    • USAF EK-5432
    • CHEBI:53239
    • Dwusiarczek dwubenzotiazylu
    • Benzothiazol-2-yl disulfide
    • di(1,3-benzothiazol-2-yl) disulfide
    • 2,2'-Dithiobis-benzothiazole
    • 2,2'-Dibenzothiazoyl disulfide
    • 2,2'-Dithiobis[benzothiazole]
    • NSC-2
    • 2,2'-Dithio-bis-benzothiazole
    • DTXSID1020146
    • BI-87F4
    • 6OK753033Z
    • NCGC00091238-02
    • DTXCID70146
    • Caswell No. 408A
    • NSC 2
    • 2,2'-Dibenzothiazyldisulfide
    • CAS-120-78-5
    • Benzthiazole disulfide
    • CCRIS 4637
    • HSDB 1137
    • Di(benzothiazol-2-yl) disulphide
    • Dwusiarczek dwubenzotiazylu [Polish]
    • EINECS 204-424-9
    • EPA Pesticide Chemical Code 009202
    • BRN 0285796
    • Mercaptobenzothiazole disulfide
    • AI3-07662
    • 2,2'-Dithio(bis)benzothiazole
    • Sanceler DM
    • UNII-6OK753033Z
    • Perkacit MBTS
    • MFCD00022874
    • DBTD
    • 2,2 inverted exclamation marka-Dithiobis(benzothiazole)
    • dibenzothiazyl disulphide
    • Dibenzothiazole disulfide
    • dibenzo thiazyl disulfide
    • NSC2
    • Epitope ID:138947
    • Mercaptobenzothiazolyl ether
    • 2,2'-dithiobisbenzthiazole
    • EC 204-424-9
    • Benzothiazole,2'-dithiobis-
    • Mercaptobenzothiazyl disulfide
    • SCHEMBL23527
    • 4-27-00-01862 (Beilstein Handbook Reference)
    • (benzothiazol-2-yl) disulfide
    • (benzothiazol-2-yl) disulphide
    • 2,2?-Dithiobis(benzothiazole)
    • CHEMBL508112
    • di(benzothiazol-2-yl) disulfide
    • bis(benzothiazol-2-yl)disulphide
    • bis(benzothiazole-2-yl)disulfide
    • bis-(benzothiazol-2-yl)disulphide
    • Di-(benzothiazol-2-yl)-disulfide
    • Bis(benzothiazole-2-yl) disulfide
    • bis-(benzothiazol-2-yl) disulfide
    • bis-(benzothiazol-2-yl) disulphide
    • Tox21_111106
    • BDBM50444458
    • STK171119
    • AKOS001022311
    • BIS(2-BENZOTHIAZYL) DISULPHIDE
    • Tox21_111106_1
    • 2,2'-DIBENZOTHIAZOLE DISULFIDE
    • 2,2'-Dithiobis(benzothiazole), 99%
    • CS-W009852
    • DB14201
    • NSC-677459
    • 1,2-di(benzo[d]thiazol-2-yl)disulfane
    • DIBENZOTHIAZYL DISULFIDE [VANDF]
    • NCGC00091238-01
    • NCGC00091238-03
    • 2,2'-DITHIOBISBENZOTHIAZOLE [MI]
    • AC-11588
    • LS-14263
    • 2,2'-disulfanediylbis(1,3-benzothiazole)
    • WLN: T56 BN DSJ CSS-CT56 BN DSJ
    • D0538

  • Applications

    2,2'-Dithiobisbenzothiazole (CAS 120-78-5) is widely used in the rubber industry as a sulfur vulcanization accelerator, helping to speed cure and control the elasticity of natural and synthetic rubbers for tires, belts, hoses, and other elastomeric components. It commonly functions as a primary or secondary accelerator, often in combination with sulfenamide accelerators to reduce scorch and optimize the curing cycle at suitable temperatures. The compound also serves as a precursor in the synthesis of benzothiazole-based vulcanization accelerators, yielding derivatives used in elastomer formulations. In adhesive and sealant systems that contain elastomeric matrices, it can act as a curing accelerator to enhance crosslinking and cure rate of the elastomer network. As a processing additive in polymer systems incorporating elastomeric components, it can be employed or adjusted to meet formulation and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.25
    methanol 3.72
    isopropanol 1.84
    water 0.0
    ethyl acetate 20.51
    n-propanol 5.39
    acetone 15.28
    n-butanol 5.92
    acetonitrile 4.74
    DMF 103.27
    toluene 20.17
    isobutanol 3.52
    1,4-dioxane 47.09
    methyl acetate 20.55
    THF 157.79
    2-butanone 28.2
    n-pentanol 6.98
    sec-butanol 4.72
    n-hexane 0.45
    ethylene glycol 1.14
    NMP 101.4
    cyclohexane 0.69
    DMSO 23.83
    n-butyl acetate 24.51
    n-octanol 5.06
    chloroform 61.14
    n-propyl acetate 21.52
    acetic acid 8.35
    dichloromethane 71.27
    cyclohexanone 59.3
    propylene glycol 1.75
    isopropyl acetate 15.55
    DMAc 102.64
    2-ethoxyethanol 23.54
    isopentanol 5.67
    n-heptane 0.94
    ethyl formate 14.58
    1,2-dichloroethane 30.41
    n-hexanol 7.42
    2-methoxyethanol 28.09
    isobutyl acetate 16.39
    tetrachloromethane 2.66
    n-pentyl acetate 25.21
    transcutol 77.46
    n-heptanol 5.8
    ethylbenzene 11.02
    MIBK 15.74
    2-propoxyethanol 27.74
    tert-butanol 1.93
    MTBE 8.18
    2-butoxyethanol 20.38
    propionic acid 7.54
    o-xylene 7.78
    formic acid 3.3
    diethyl ether 11.05
    m-xylene 8.43
    p-xylene 11.48
    chlorobenzene 28.77
    dimethyl carbonate 19.33
    n-octane 0.64
    formamide 9.01
    cyclopentanone 94.66
    2-pentanone 24.15
    anisole 38.71
    cyclopentyl methyl ether 39.09
    gamma-butyrolactone 89.62
    1-methoxy-2-propanol 19.68
    pyridine 92.39
    3-pentanone 19.23
    furfural 101.08
    n-dodecane 0.67
    diethylene glycol 14.57
    diisopropyl ether 3.06
    tert-amyl alcohol 4.93
    acetylacetone 35.57
    n-hexadecane 0.8
    acetophenone 37.11
    methyl propionate 23.78
    isopentyl acetate 23.81
    trichloroethylene 110.56
    n-nonanol 6.25
    cyclohexanol 8.44
    benzyl alcohol 24.17
    2-ethylhexanol 8.23
    isooctanol 5.76
    dipropyl ether 13.19
    1,2-dichlorobenzene 27.63
    ethyl lactate 12.78
    propylene carbonate 41.78
    n-methylformamide 18.47
    2-pentanol 4.12
    n-pentane 0.38
    1-propoxy-2-propanol 19.55
    1-methoxy-2-propyl acetate 38.17
    2-(2-methoxypropoxy) propanol 28.53
    mesitylene 3.65
    ε-caprolactone 58.83
    p-cymene 7.19
    epichlorohydrin 130.64
    1,1,1-trichloroethane 15.98
    2-aminoethanol 3.46
    morpholine-4-carbaldehyde 118.06
    sulfolane 82.29
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 59.07
    n-hexyl acetate 23.16
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 35.03
    sec-butyl acetate 18.13
    tert-butyl acetate 17.9
    decalin 1.02
    glycerin 4.27
    diglyme 72.8
    acrylic acid 9.22
    isopropyl myristate 12.3
    n-butyric acid 13.32
    acetyl acetate 13.02
    di(2-ethylhexyl) phthalate 14.82
    ethyl propionate 21.12
    nitromethane 24.79
    1,2-diethoxyethane 37.17
    benzonitrile 28.04
    trioctyl phosphate 8.47
    1-bromopropane 15.42
    gamma-valerolactone 151.06
    n-decanol 5.12
    triethyl phosphate 13.33
    4-methyl-2-pentanol 3.06
    propionitrile 8.0
    vinylene carbonate 43.01
    1,1,2-trichlorotrifluoroethane 53.14
    DMS 27.72
    cumene 6.45
    2-octanol 4.86
    2-hexanone 24.45
    octyl acetate 15.18
    limonene 9.34
    1,2-dimethoxyethane 60.41
    ethyl orthosilicate 13.0
    tributyl phosphate 11.24
    diacetone alcohol 18.44
    N,N-dimethylaniline 24.16
    acrylonitrile 14.44
    aniline 21.48
    1,3-propanediol 5.72
    bromobenzene 33.87
    dibromomethane 33.11
    1,1,2,2-tetrachloroethane 58.51
    2-methyl-cyclohexyl acetate 23.6
    tetrabutyl urea 19.91
    diisobutyl methanol 4.39
    2-phenylethanol 23.43
    styrene 16.08
    dioctyl adipate 22.24
    dimethyl sulfate 33.11
    ethyl butyrate 22.76
    methyl lactate 14.43
    butyl lactate 18.64
    diethyl carbonate 15.32
    propanediol butyl ether 14.2
    triethyl orthoformate 19.76
    p-tert-butyltoluene 6.23
    methyl 4-tert-butylbenzoate 26.63
    morpholine 59.53
    tert-butylamine 1.18
    n-dodecanol 4.2
    dimethoxymethane 49.92
    ethylene carbonate 28.18
    cyrene 39.61
    2-ethoxyethyl acetate 43.8
    2-ethylhexyl acetate 23.42
    1,2,4-trichlorobenzene 37.86
    4-methylpyridine 66.03
    dibutyl ether 14.09
    2,6-dimethyl-4-heptanol 4.39
    DEF 46.21
    dimethyl isosorbide 66.39
    tetrachloroethylene 31.06
    eugenol 35.31
    triacetin 32.02
    span 80 23.2
    1,4-butanediol 3.3
    1,1-dichloroethane 15.64
    2-methyl-1-pentanol 8.44
    methyl formate 18.31
    2-methyl-1-butanol 7.21
    n-decane 1.0
    butyronitrile 10.27
    3,7-dimethyl-1-octanol 6.42
    1-chlorooctane 5.8
    1-chlorotetradecane 2.97
    n-nonane 0.78
    undecane 0.8
    tert-butylcyclohexane 0.81
    cyclooctane 0.38
    cyclopentanol 10.5
    tetrahydropyran 39.14
    tert-amyl methyl ether 12.95
    2,5,8-trioxanonane 52.43
    1-hexene 3.82
    2-isopropoxyethanol 16.22
    2,2,2-trifluoroethanol 3.81
    methyl butyrate 28.63

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction