2-(4-Morpholino)thiobenzothiazole

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  • Identifiers

    CAS number
    102-77-2

    Molecular formula
    C11H12N2OS2

    SMILES
    C1COCCN1SC2=NC3=CC=CC=C3S2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 54.09%
    Roasted 47.85%
    Nutty 46.72%
    Cooked 38.64%
    Earthy 32.01%
    Burnt 31.99%
    Savory 29.17%
    Sulfurous 27.28%
    Mushroom 26.19%
    Coffee 25.42%

     

    Flavor
    Roasted 49.59%
    Bitter 49.1%
    Coffee 29.42%
    Meaty 28.1%
    Scallion 24.03%
    Cooked 23.82%
    Mushroom 23.58%
    Sulfury 22.68%
    Cereal 22.39%
    Roast 21.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    3.49 (weak acid)

    Molecular weight
    252.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    418°C

    Melting point expt.

    • 80 °C

    Flash point

    • 178.36 ˚C est.
    • 188 °C

    Solubility expt.

    • INSOL IN WATER, SOL IN BENZENE, ACETONE, METHANOL

  • Synonyms

    • 102-77-2
    • 2-(Morpholinothio)benzothiazole
    • Morpholinylmercaptobenzothiazole
    • Santocure MOR
    • Sulfenax MOR
    • Vulcafor BSM
    • Vulkacit MOZ
    • NOBS Special
    • Usaf cy-7
    • Accel NS
    • Meramide M
    • 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
    • 2-(4-Morpholinylthio)benzothiazole
    • Delac MOR
    • 2-(4-Morpholinothio)benzothiazole
    • Vulcafor SSM
    • 2-(4-Morpholinylmercapto)benzothiazole
    • Cure-rite OBTS
    • Benzothiazole, 2-(4-morpholinylthio)-
    • Morpholine, 4-(2-benzothiazolylthio)-
    • 2-Benzothiazolesulfenemorpholide
    • Benzothiazolyl-2-sulfenmorpholide
    • N-(Oxydiethylene)benzothiazole-2-sulfenamide
    • 2-(4-Morpholino)thiobenzothiazole
    • 2-Morpholinothiobenzothiazole
    • 2-Benzothiazolylsulfenyl morpholine
    • Meramid M
    • 2-Benzothiazolyl N-morpholino sulfide
    • BENZOTHIAZOLE, 2-(MORPHOLINOTHIO)-
    • N-(Oxydiethylene)benzothiazylsulfenamide
    • 2-Benzothiazolylsulfenylmorpholine
    • 2-Benzothiazolesulfenamide, N-morpholinyl-
    • NSC 70078
    • N-(Oxodiethylene)-2-benzothiazolesulfenamide
    • CCRIS 4911
    • N,N-(Oxydiethylene)-2-benzothiazylsulfenamide
    • 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole
    • N,N-(Oxydiethylene)benzothiazole-2-sulfenamide
    • HSDB 2867
    • EINECS 203-052-4
    • NSC-70078
    • BRN 0191684
    • VCD7623F3K
    • AI3-27134
    • Morpholinylmercapto-benzo-thiazole
    • 2-(4-Morpholino)thiobenzothiazole [HSDB]
    • EC 203-052-4
    • 4-27-00-01868 (Beilstein Handbook Reference)
    • N-Oxydiethylene-2-benzothiazolesulfenamide
    • 2-(4-morpholinothiobenzothiazole
    • Curerite OBTS
    • 2(4-morpholinyl-thio)-benzothiazole
    • RefChem:458188
    • 2(morpholinothio)benzothiazole
    • 2Benzothiazolesulfenemorpholide
    • Benzothiazolyl2sulfenmorpholide
    • 2(4Morpholino)thiobenzothiazole
    • 2Benzothiazolylsulfenylmorpholine
    • 2(4Morpholinylthio)benzothiazole
    • 4(2Benzothiazolylthio)morpholine
    • Benzothiazole, 2(morpholinothio)
    • 2Benzothiazolylsulfenyl morpholine
    • 2Benzothiazolyl Nmorpholino sulfide
    • Benzothiazole, 2(4morpholinylthio)
    • Morpholine, 4(2benzothiazolylthio)
    • 2(4Morpholinylmercapto)benzothiazole
    • NOxydiethylene2benzothiazylsulfenamide
    • 2Benzothiazolesulfenamide, Nmorpholinyl
    • N(Oxydiethylene)benzothiazylsulfenamide
    • 2-BENZOTHIAZOLYLSUFENYL MORPHOLINE
    • N(Oxodiethylene)2benzothiazolesulfenamide
    • N(Oxydiethylene)benzothiazole2sulfenamide
    • N,N(Oxydiethylene)2benzothiazylsulfenamide
    • N,N(Oxydiethylene)benzothiazole2sulfenamide
    • 4-(Benzo[d]thiazol-2-ylthio)morpholine
    • Sulfenamide M
    • AMAX
    • N-Oxydiethylenebenzothiazole-2-sulfenamide
    • N-Oxydiethylene-2-benzothiazylsulfenamide
    • 4-(2-Benzothiazolylthio)morpholine
    • N-Oxydiethylene-2-benzothiazole sulfenamide
    • MFCD00022870
    • (2-Morpholinothio)benzothiazole
    • DTXSID0021096
    • NSC70078
    • 4-(2-Benzothiazolylthio)-morpholine
    • NCGC00042523-02
    • NCGC00042523-03
    • N-(Oxydiethylene)-2-benzothiazolesulfenamide
    • N,N-(Oxydiethylene)-2-benzothiazolesulfenamide
    • DTXCID201096
    • CAS-102-77-2
    • UNII-VCD7623F3K
    • Accelerator NC
    • 2-(Morpholinthio)-benzothiazole
    • NOBS
    • OBTS
    • 2-(morpholin-4-ylthio)-1,3-benzothiazole
    • NCIOpen2_003384
    • SCHEMBL79658
    • MLS000055410
    • orb1298415
    • CHEMBL1530581
    • SCHEMBL29404281
    • MHKLKWCYGIBEQF-UHFFFAOYSA-
    • 2-morpholin-4-ylthiobenzothiazole
    • 2-morpholinosulphenyl-benzothiazole
    • HMS1760H22
    • HMS2163A20
    • HMS3323A19
    • 2-(4-morpholinothio)-benzothiazole
    • 4-(2-benzothiazolylthio)-morpholin
    • Tox21_110976
    • 2-morpholin-4-ylsulfanylbenzothiazole
    • EBC-12355
    • MSK001867
    • 2-Benzothiazolesulfenamide, N-morphol
    • AKOS001025507
    • Tox21_110976_1
    • DB14202
    • MSK001867-100M
    • 2-(MORPHOLINOTHIO)-BENZOTHIAZOLE
    • WLN: T56 BN DSJ CS-AT6N DOTJ
    • BS-42257
    • SMR000066103
    • 2-(4-Morpholinylthio)-1,3-benzothiazole
    • HY-139432
    • 102-77-2

  • Applications

    2-(4-Morpholino)thiobenzothiazole (CAS 102-77-2) is a synthetic intermediate and specialty additive with multiple industrial applications. It is commonly used as a vulcanization accelerator and/or antioxidant in rubber and elastomer cure systems; serves as a building block for morpholine-containing compounds used in pharmaceuticals and agrochemicals; acts as a precursor for benzothiazole-based colorants in coatings and inks; used in polymer chemistry as a monomer builder or functional crosslinking agent; and functions as a specialty additive for coatings and metal-protection formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.04
    methanol 70.4
    isopropanol 30.29
    water 0.49
    ethyl acetate 58.62
    n-propanol 50.15
    acetone 99.21
    n-butanol 51.49
    acetonitrile 46.95
    DMF 381.83
    toluene 32.26
    isobutanol 41.32
    1,4-dioxane 168.96
    methyl acetate 81.91
    THF 232.94
    2-butanone 95.72
    n-pentanol 48.81
    sec-butanol 37.2
    n-hexane 1.7
    ethylene glycol 43.7
    NMP 210.82
    cyclohexane 7.58
    DMSO 243.11
    n-butyl acetate 48.97
    n-octanol 28.71
    chloroform 199.64
    n-propyl acetate 60.57
    acetic acid 98.13
    dichloromethane 198.75
    cyclohexanone 167.07
    propylene glycol 38.48
    isopropyl acetate 32.03
    DMAc 330.13
    2-ethoxyethanol 144.24
    isopentanol 44.61
    n-heptane 3.32
    ethyl formate 81.93
    1,2-dichloroethane 118.73
    n-hexanol 39.56
    2-methoxyethanol 205.48
    isobutyl acetate 44.58
    tetrachloromethane 16.82
    n-pentyl acetate 44.69
    transcutol 326.38
    n-heptanol 27.63
    ethylbenzene 18.0
    MIBK 36.07
    2-propoxyethanol 110.73
    tert-butanol 29.79
    MTBE 24.6
    2-butoxyethanol 78.8
    propionic acid 57.81
    o-xylene 21.79
    formic acid 61.27
    diethyl ether 33.04
    m-xylene 18.97
    p-xylene 26.72
    chlorobenzene 64.52
    dimethyl carbonate 48.76
    n-octane 2.11
    formamide 106.41
    cyclopentanone 170.85
    2-pentanone 60.49
    anisole 59.31
    cyclopentyl methyl ether 71.3
    gamma-butyrolactone 178.42
    1-methoxy-2-propanol 108.95
    pyridine 175.63
    3-pentanone 60.2
    furfural 237.57
    n-dodecane 2.59
    diethylene glycol 130.0
    diisopropyl ether 8.33
    tert-amyl alcohol 34.34
    acetylacetone 69.84
    n-hexadecane 2.95
    acetophenone 75.97
    methyl propionate 69.06
    isopentyl acetate 45.9
    trichloroethylene 253.67
    n-nonanol 29.11
    cyclohexanol 66.61
    benzyl alcohol 83.02
    2-ethylhexanol 29.76
    isooctanol 24.6
    dipropyl ether 27.02
    1,2-dichlorobenzene 58.94
    ethyl lactate 50.49
    propylene carbonate 103.52
    n-methylformamide 127.18
    2-pentanol 28.54
    n-pentane 2.38
    1-propoxy-2-propanol 72.81
    1-methoxy-2-propyl acetate 62.2
    2-(2-methoxypropoxy) propanol 85.55
    mesitylene 9.76
    ε-caprolactone 138.31
    p-cymene 15.84
    epichlorohydrin 226.84
    1,1,1-trichloroethane 60.37
    2-aminoethanol 61.62
    morpholine-4-carbaldehyde 277.59
    sulfolane 187.81
    2,2,4-trimethylpentane 2.01
    2-methyltetrahydrofuran 105.04
    n-hexyl acetate 49.58
    isooctane 1.09
    2-(2-butoxyethoxy)ethanol 116.51
    sec-butyl acetate 36.79
    tert-butyl acetate 30.01
    decalin 3.75
    glycerin 83.13
    diglyme 200.12
    acrylic acid 71.82
    isopropyl myristate 24.12
    n-butyric acid 75.51
    acetyl acetate 37.59
    di(2-ethylhexyl) phthalate 36.46
    ethyl propionate 48.22
    nitromethane 166.09
    1,2-diethoxyethane 87.82
    benzonitrile 85.77
    trioctyl phosphate 23.49
    1-bromopropane 45.11
    gamma-valerolactone 279.44
    n-decanol 23.73
    triethyl phosphate 33.04
    4-methyl-2-pentanol 19.33
    propionitrile 53.33
    vinylene carbonate 123.17
    1,1,2-trichlorotrifluoroethane 201.84
    DMS 54.77
    cumene 13.1
    2-octanol 19.81
    2-hexanone 58.36
    octyl acetate 34.41
    limonene 22.23
    1,2-dimethoxyethane 200.82
    ethyl orthosilicate 30.94
    tributyl phosphate 28.98
    diacetone alcohol 52.49
    N,N-dimethylaniline 43.71
    acrylonitrile 81.24
    aniline 73.94
    1,3-propanediol 79.19
    bromobenzene 54.68
    dibromomethane 100.53
    1,1,2,2-tetrachloroethane 181.37
    2-methyl-cyclohexyl acetate 45.48
    tetrabutyl urea 44.26
    diisobutyl methanol 15.44
    2-phenylethanol 65.17
    styrene 26.79
    dioctyl adipate 43.27
    dimethyl sulfate 77.89
    ethyl butyrate 45.18
    methyl lactate 61.09
    butyl lactate 51.75
    diethyl carbonate 38.89
    propanediol butyl ether 76.0
    triethyl orthoformate 42.45
    p-tert-butyltoluene 13.39
    methyl 4-tert-butylbenzoate 51.87
    morpholine 203.5
    tert-butylamine 16.73
    n-dodecanol 19.46
    dimethoxymethane 147.92
    ethylene carbonate 99.91
    cyrene 104.16
    2-ethoxyethyl acetate 76.41
    2-ethylhexyl acetate 40.46
    1,2,4-trichlorobenzene 80.08
    4-methylpyridine 128.71
    dibutyl ether 33.28
    2,6-dimethyl-4-heptanol 15.44
    DEF 110.86
    dimethyl isosorbide 112.25
    tetrachloroethylene 112.47
    eugenol 73.48
    triacetin 67.35
    span 80 64.09
    1,4-butanediol 50.43
    1,1-dichloroethane 72.15
    2-methyl-1-pentanol 45.03
    methyl formate 121.58
    2-methyl-1-butanol 46.31
    n-decane 3.72
    butyronitrile 54.33
    3,7-dimethyl-1-octanol 27.68
    1-chlorooctane 16.41
    1-chlorotetradecane 8.37
    n-nonane 3.04
    undecane 3.03
    tert-butylcyclohexane 2.48
    cyclooctane 2.49
    cyclopentanol 67.59
    tetrahydropyran 125.39
    tert-amyl methyl ether 29.09
    2,5,8-trioxanonane 141.81
    1-hexene 10.14
    2-isopropoxyethanol 86.73
    2,2,2-trifluoroethanol 53.17
    methyl butyrate 73.5

    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