1,2-Dithiole-3-Thione

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  • Identifiers

    CAS number
    534-25-8

    Molecular formula
    C3H2S3

    SMILES
    C1=CSSC1=S

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 72.08%
    Garlic 50.75%
    Pungent 37.67%
    Alliaceous 37.58%
    Burnt 37.18%
    Meaty 37.04%
    Onion 36.8%
    Odorless 34.35%
    Cooked 32.3%
    Roasted 31.78%

     

    Flavor
    Sulfur 57.36%
    Nutty 44.54%
    Garlic 36.37%
    Pungent 36.2%
    Sulfurous 35.44%
    Sulfury 34.05%
    Roasted 32.14%
    Onion 31.63%
    Vegetable 31.31%
    Alliaceous 30.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.41 (neutral)

    Molecular weight
    134.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    256°C

    Melting point expt.

    • 81 - 82 °C

    Flash point

    • 47.0 ˚C est.

  • Synonyms

    • 3H-1,2-Dithiole-3-thione
    • 534-25-8
    • 1,2-Dithiole-3-thione
    • 1,2-Dithiol-3-thione
    • WT2QF220RR
    • J150.687K
    • DTXSID7037052
    • CHEBI:50866
    • D3T compound
    • RefChem:906759
    • DTXCID5017052
    • 208-595-0
    • dithiole-3-thione
    • DITHIOLETHIONE
    • 1,2-dithiolene-3-thione
    • EINECS 208-595-0
    • UNII-WT2QF220RR
    • orb320849
    • SCHEMBL362931
    • SPECTRUM1505015
    • CHEMBL368700
    • SCHEMBL11857986
    • SCHEMBL14833508
    • LZENMJMJWQSSNJ-UHFFFAOYSA-N
    • DITHIOLE-3-THIONE, 1,2-
    • MFCD00961788
    • 1,2-Dithia-4-cyclopentene-3-thione
    • AKOS004907024
    • CCG-207972
    • 3-H-1,2-Dithiole-2-thione (D3T)
    • NCGC00095291-01
    • NCGC00095291-02
    • NCGC00095291-06
    • AS-87352
    • CS-0145792
    • NS00032756
    • G74586
    • BRD-K91781484-001-01-3
    • InChI=1/C3H2S3/c4-3-1-2-5-6-3/h1-2
    • Q26840878
    • 534-25-8

  • Applications

    1,2-Dithiole-3-Thione is primarily used as an organic synthesis intermediate to prepare substituted dithiolethione derivatives that serve as building blocks for pharmaceuticals and agrochemicals (CAS 534-25-8). It is also employed as a precursor for dithiolethione-based stabilizers and antioxidants used in polymers and coatings, helping to improve thermal and oxidative stability of plastics and paints. In formulation chemistry, it can function as a reactive component or precursor in adhesives and coating systems for specialty chemicals. Additionally, it is often studied as a building block or ligand in coordination chemistry and materials science. Actual usage is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.96
    methanol 29.18
    isopropanol 30.17
    water 0.36
    ethyl acetate 126.95
    n-propanol 34.04
    acetone 193.24
    n-butanol 39.95
    acetonitrile 85.52
    DMF 368.97
    toluene 129.35
    isobutanol 28.8
    1,4-dioxane 299.95
    methyl acetate 167.35
    THF 277.07
    2-butanone 185.11
    n-pentanol 45.95
    sec-butanol 42.31
    n-hexane 9.66
    ethylene glycol 19.13
    NMP 381.84
    cyclohexane 21.94
    DMSO 255.23
    n-butyl acetate 131.97
    n-octanol 56.41
    chloroform 217.63
    n-propyl acetate 124.57
    acetic acid 54.89
    dichloromethane 175.05
    cyclohexanone 248.72
    propylene glycol 20.46
    isopropyl acetate 113.56
    DMAc 407.44
    2-ethoxyethanol 128.15
    isopentanol 45.39
    n-heptane 21.84
    ethyl formate 76.65
    1,2-dichloroethane 139.43
    n-hexanol 58.22
    2-methoxyethanol 147.19
    isobutyl acetate 98.46
    tetrachloromethane 58.04
    n-pentyl acetate 103.14
    transcutol 493.64
    n-heptanol 42.69
    ethylbenzene 85.11
    MIBK 126.49
    2-propoxyethanol 142.12
    tert-butanol 57.53
    MTBE 110.94
    2-butoxyethanol 98.54
    propionic acid 46.03
    o-xylene 115.12
    formic acid 20.45
    diethyl ether 109.99
    m-xylene 105.24
    p-xylene 106.64
    chlorobenzene 151.29
    dimethyl carbonate 103.08
    n-octane 13.24
    formamide 54.9
    cyclopentanone 282.93
    2-pentanone 152.18
    anisole 234.52
    cyclopentyl methyl ether 170.8
    gamma-butyrolactone 226.11
    1-methoxy-2-propanol 130.29
    pyridine 225.84
    3-pentanone 156.29
    furfural 346.33
    n-dodecane 14.4
    diethylene glycol 112.5
    diisopropyl ether 67.03
    tert-amyl alcohol 68.04
    acetylacetone 287.16
    n-hexadecane 16.77
    acetophenone 247.24
    methyl propionate 122.72
    isopentyl acetate 130.12
    trichloroethylene 341.63
    n-nonanol 59.96
    cyclohexanol 67.94
    benzyl alcohol 121.94
    2-ethylhexanol 63.45
    isooctanol 42.68
    dipropyl ether 101.42
    1,2-dichlorobenzene 173.06
    ethyl lactate 67.46
    propylene carbonate 130.42
    n-methylformamide 99.37
    2-pentanol 43.72
    n-pentane 11.02
    1-propoxy-2-propanol 127.82
    1-methoxy-2-propyl acetate 182.07
    2-(2-methoxypropoxy) propanol 189.83
    mesitylene 87.36
    ε-caprolactone 193.93
    p-cymene 78.55
    epichlorohydrin 261.72
    1,1,1-trichloroethane 199.24
    2-aminoethanol 27.34
    morpholine-4-carbaldehyde 476.95
    sulfolane 323.5
    2,2,4-trimethylpentane 13.82
    2-methyltetrahydrofuran 191.73
    n-hexyl acetate 133.18
    isooctane 12.25
    2-(2-butoxyethoxy)ethanol 205.61
    sec-butyl acetate 113.93
    tert-butyl acetate 161.74
    decalin 26.62
    glycerin 45.06
    diglyme 398.15
    acrylic acid 55.8
    isopropyl myristate 88.87
    n-butyric acid 59.99
    acetyl acetate 135.78
    di(2-ethylhexyl) phthalate 77.32
    ethyl propionate 112.31
    nitromethane 211.11
    1,2-diethoxyethane 236.51
    benzonitrile 160.71
    trioctyl phosphate 51.3
    1-bromopropane 75.13
    gamma-valerolactone 409.42
    n-decanol 50.64
    triethyl phosphate 81.64
    4-methyl-2-pentanol 42.03
    propionitrile 68.09
    vinylene carbonate 147.21
    1,1,2-trichlorotrifluoroethane 227.92
    DMS 164.94
    cumene 66.82
    2-octanol 41.85
    2-hexanone 154.09
    octyl acetate 94.35
    limonene 104.78
    1,2-dimethoxyethane 304.11
    ethyl orthosilicate 81.18
    tributyl phosphate 66.03
    diacetone alcohol 172.07
    N,N-dimethylaniline 178.91
    acrylonitrile 101.17
    aniline 106.92
    1,3-propanediol 46.43
    bromobenzene 171.11
    dibromomethane 113.83
    1,1,2,2-tetrachloroethane 257.77
    2-methyl-cyclohexyl acetate 132.14
    tetrabutyl urea 107.38
    diisobutyl methanol 58.96
    2-phenylethanol 126.63
    styrene 112.15
    dioctyl adipate 119.27
    dimethyl sulfate 206.15
    ethyl butyrate 124.58
    methyl lactate 81.06
    butyl lactate 78.89
    diethyl carbonate 86.7
    propanediol butyl ether 97.49
    triethyl orthoformate 102.63
    p-tert-butyltoluene 82.48
    methyl 4-tert-butylbenzoate 172.1
    morpholine 226.53
    tert-butylamine 37.84
    n-dodecanol 44.9
    dimethoxymethane 234.66
    ethylene carbonate 106.1
    cyrene 206.64
    2-ethoxyethyl acetate 171.87
    2-ethylhexyl acetate 118.37
    1,2,4-trichlorobenzene 232.35
    4-methylpyridine 233.44
    dibutyl ether 110.57
    2,6-dimethyl-4-heptanol 58.96
    DEF 231.48
    dimethyl isosorbide 361.16
    tetrachloroethylene 169.8
    eugenol 187.67
    triacetin 201.18
    span 80 141.53
    1,4-butanediol 29.96
    1,1-dichloroethane 126.08
    2-methyl-1-pentanol 53.1
    methyl formate 96.28
    2-methyl-1-butanol 41.1
    n-decane 20.26
    butyronitrile 67.65
    3,7-dimethyl-1-octanol 73.88
    1-chlorooctane 59.29
    1-chlorotetradecane 35.83
    n-nonane 18.21
    undecane 16.44
    tert-butylcyclohexane 23.26
    cyclooctane 17.6
    cyclopentanol 61.06
    tetrahydropyran 162.99
    tert-amyl methyl ether 123.2
    2,5,8-trioxanonane 340.72
    1-hexene 31.93
    2-isopropoxyethanol 114.34
    2,2,2-trifluoroethanol 43.94
    methyl butyrate 137.04

    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