Disulfiram

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  • Identifiers

    CAS number
    97-77-8

    Molecular formula
    C10H20N2S4

    SMILES
    CCN(CC)C(=S)SSC(=S)N(CC)CC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 41.87%
    Sulfurous 39.05%
    Savory 37.47%
    Roasted 36.62%
    Onion 32.51%
    Cooked 29.91%
    Fruity 26.45%
    Pungent 26.18%
    Fresh 25.64%
    Garlic 24.02%

     

    Flavor
    Cooked 24.84%
    Roasted 23.82%
    Sulfurous 22.56%
    Sulfury 21.93%
    Onion 21.92%
    Scallion 19.98%
    Bland 19.81%
    Acrid 19.67%
    Taco 19.54%
    Bitter 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.29 (neutral)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 158 °F (NTP, 1992)
    • 71.5 °C
    • 71 °C
    • 158 °F

    Boiling point

    • 243 °F at 17 mmHg (NTP, 1992)
    • 117 °C at 1.70E+01 mm Hg
    • 117 °C at 17 mm Hg
    • at 2.3kPa: 117 °C
    • 243 °F

    Flash point

    • 165.83 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 70 °F (NTP, 1992)
    • 4.09 mg/L (at 25 °C)
    • Sol in alc (3.82 g/100 ml), ether (7.14 g/100 ml), acetone, benzene, chloroform, carbon disulfide
    • Soluble in aromatic
    • In water, 4.09 mg/L at 25 °C
    • 1.26e-02 g/L
    • Solubility in water, g/100ml: 0.02
    • 0.02%

  • Synonyms

    • disulfiram
    • Tetraethylthiuram disulfide
    • 97-77-8
    • Antabuse
    • Bis(diethylthiocarbamoyl) disulfide
    • Antabus
    • Alcophobin
    • Anticol
    • Esperal
    • Teturam
    • Dicupral
    • Exhorran
    • TETD
    • Ethyldithiurame
    • Abstensil
    • Abstinil
    • Antaethyl
    • Antalcol
    • Antietanol
    • Antietil
    • Teturamin
    • Antadix
    • Antetan
    • Antikol
    • Aversan
    • Averzan
    • Hoca
    • Ethyl Thiram
    • Antiaethan
    • Antivitium
    • Contralin
    • Contrapot
    • Disulfuram
    • Tetradine
    • Tetraetil
    • Abstinyl
    • Antaenyl
    • Antaetil
    • Antetil
    • Bonibal
    • Cronetal
    • Disetil
    • Disulfan
    • Ephorran
    • Krotenal
    • Refusal
    • Tenurid
    • Tenutex
    • Tetidis
    • Anteyl
    • Etabus
    • Nocbin
    • Ethyldithiourame
    • Ekagom TETDS
    • Ethyl tuads
    • Ethyl Thiurad
    • Alk-aubs
    • Ethyl Tuex
    • Soxinol TET
    • Stopetyl
    • Tetraethylthiuram disulphide
    • Thiuranide
    • Exhoran
    • Ekagom DTET
    • Ekagom TEDS
    • Noxal
    • Accel TET
    • Tetraethylthiram disulfide
    • Anti-ethyl
    • Ro-sulfiram
    • Tetraethylthiuram
    • Thiuram E
    • Sanceler TET
    • TATD
    • Tetraethylthioperoxydicarbonic diamide
    • Antaethan
    • Antethyl
    • Stopaethyl
    • Thireranide
    • Espenal
    • Sanceler TET-G
    • Tillram
    • Ethyl Thiudad
    • Tuads, ethyl
    • Usaf B-33
    • Nocceler TET
    • Tetraethylthiuran disulfide
    • Disulfirame
    • Disulphuram
    • Stopethyl
    • Tetradin
    • Accel TET-R
    • Dupon 4472
    • Tetraethylthiram disulphide
    • Disulfiramum
    • Anthethyl
    • Antivitium (Spain)
    • Dupont fungicide 4472
    • Hocakrotenalnci-C02959
    • Disulfirame [DCIT]
    • Bis(diethylthiocarbamyl) disulfide
    • Tetraethylthiuram sulfide
    • Antabuse (TN)
    • N,N,N',N'-Tetraethylthiuram disulfide
    • Abstensyl (Argentina)
    • Disulfide, bis(diethylthiocarbamoyl)
    • Thiuram disulfide, tetraethyl-
    • 1,1'-Dithiobis(N,N-diethylthioformamide)
    • Bis(N,N-diethylthiocarbamoyl) disulfide
    • diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
    • NSC-25953
    • ENT 27,340
    • TR3MLJ1UAI
    • Thioperoxydicarbonic diamide, tetraethyl-
    • N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide
    • Bis(diethylthiocarbamoyl)disulphide
    • C10H20N2S4
    • NCI-C02959
    • NSC 190940
    • Bis(N,N-diethylthiocarbamoyl)disulphide
    • N,N,N',N'-Tetraethylthiuram disulphide
    • Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl-
    • CHEBI:4659
    • ORA102
    • Bis((diethylamino)thioxomethyl)disulphide
    • Bis((diethylamino)thioxomethyl) disulfide
    • Tetraethylthiuram disulfide;TETD
    • DTXSID1021322

  • Applications

    Disulfiram is a tetraethylthiuram disulfide (CAS 97-77-8). In the pharmaceutical sector, it is used as a chemical building block in drug formulations and as a precursor in sulfur-containing chemistry; in the polymers/plastics field, it may function as a thiuram disulfide-type accelerator for vulcanization of rubber and other elastomer systems; in industrial manufacturing, it serves as an intermediate for the synthesis of organic sulfur-containing compounds; in specialty chemicals, it is employed as a reagent and precursor for thiuram derivatives; regulatory requirements and formulation limits may apply depending on jurisdiction.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.2
    methanol 18.34
    isopropanol 10.27
    water 0.13
    ethyl acetate 139.61
    n-propanol 15.91
    acetone 187.85
    n-butanol 16.77
    acetonitrile 195.86
    DMF 393.93
    toluene 119.32
    isobutanol 12.47
    1,4-dioxane 234.23
    methyl acetate 168.42
    THF 483.84
    2-butanone 147.79
    n-pentanol 15.01
    sec-butanol 13.32
    n-hexane 6.24
    ethylene glycol 7.43
    NMP 1051.38
    cyclohexane 27.95
    DMSO 339.08
    n-butyl acetate 131.93
    n-octanol 9.3
    chloroform 748.81
    n-propyl acetate 93.82
    acetic acid 110.99
    dichloromethane 737.29
    cyclohexanone 367.18
    propylene glycol 8.17
    isopropyl acetate 84.02
    DMAc 536.72
    2-ethoxyethanol 53.04
    isopentanol 16.51
    n-heptane 6.99
    ethyl formate 111.96
    1,2-dichloroethane 400.4
    n-hexanol 19.92
    2-methoxyethanol 78.91
    isobutyl acetate 58.25
    tetrachloromethane 119.56
    n-pentyl acetate 69.1
    transcutol 168.52
    n-heptanol 11.1
    ethylbenzene 49.83
    MIBK 59.7
    2-propoxyethanol 72.32
    tert-butanol 15.89
    MTBE 45.94
    2-butoxyethanol 41.6
    propionic acid 54.38
    o-xylene 79.81
    formic acid 45.32
    diethyl ether 59.55
    m-xylene 65.16
    p-xylene 76.46
    chlorobenzene 317.43
    dimethyl carbonate 105.65
    n-octane 2.59
    formamide 98.04
    cyclopentanone 559.33
    2-pentanone 110.65
    anisole 138.09
    cyclopentyl methyl ether 208.29
    gamma-butyrolactone 676.14
    1-methoxy-2-propanol 51.39
    pyridine 430.1
    3-pentanone 129.49
    furfural 815.34
    n-dodecane 1.99
    diethylene glycol 52.5
    diisopropyl ether 21.56
    tert-amyl alcohol 19.96
    acetylacetone 249.75
    n-hexadecane 2.47
    acetophenone 179.86
    methyl propionate 131.6
    isopentyl acetate 112.73
    trichloroethylene 1108.27
    n-nonanol 10.99
    cyclohexanol 40.07
    benzyl alcohol 73.26
    2-ethylhexanol 23.77
    isooctanol 10.6
    dipropyl ether 57.44
    1,2-dichlorobenzene 363.93
    ethyl lactate 44.23
    propylene carbonate 335.74
    n-methylformamide 142.78
    2-pentanol 11.85
    n-pentane 5.85
    1-propoxy-2-propanol 58.5
    1-methoxy-2-propyl acetate 162.07
    2-(2-methoxypropoxy) propanol 70.02
    mesitylene 40.46
    ε-caprolactone 301.39
    p-cymene 46.49
    epichlorohydrin 655.58
    1,1,1-trichloroethane 428.53
    2-aminoethanol 12.77
    morpholine-4-carbaldehyde 595.27
    sulfolane 933.08
    2,2,4-trimethylpentane 4.92
    2-methyltetrahydrofuran 278.68
    n-hexyl acetate 71.4
    isooctane 2.66
    2-(2-butoxyethoxy)ethanol 66.58
    sec-butyl acetate 63.36
    tert-butyl acetate 101.44
    decalin 13.64
    glycerin 23.39
    diglyme 210.48
    acrylic acid 82.08
    isopropyl myristate 36.18
    n-butyric acid 73.94
    acetyl acetate 182.67
    di(2-ethylhexyl) phthalate 49.14
    ethyl propionate 93.35
    nitromethane 510.16
    1,2-diethoxyethane 103.17
    benzonitrile 192.78
    trioctyl phosphate 24.86
    1-bromopropane 124.07
    gamma-valerolactone 729.98
    n-decanol 8.97
    triethyl phosphate 93.46
    4-methyl-2-pentanol 9.13
    propionitrile 81.87
    vinylene carbonate 348.05
    1,1,2-trichlorotrifluoroethane 458.64
    DMS 165.62
    cumene 32.43
    2-octanol 7.78
    2-hexanone 81.72
    octyl acetate 43.4
    limonene 67.51
    1,2-dimethoxyethane 170.24
    ethyl orthosilicate 77.73
    tributyl phosphate 42.04
    diacetone alcohol 70.81
    N,N-dimethylaniline 107.65
    acrylonitrile 152.38
    aniline 114.07
    1,3-propanediol 19.51
    bromobenzene 394.99
    dibromomethane 399.07
    1,1,2,2-tetrachloroethane 697.38
    2-methyl-cyclohexyl acetate 121.09
    tetrabutyl urea 66.05
    diisobutyl methanol 16.63
    2-phenylethanol 84.05
    styrene 77.38
    dioctyl adipate 77.59
    dimethyl sulfate 276.7
    ethyl butyrate 119.09
    methyl lactate 65.25
    butyl lactate 48.59
    diethyl carbonate 100.1
    propanediol butyl ether 26.37
    triethyl orthoformate 97.88
    p-tert-butyltoluene 44.65
    methyl 4-tert-butylbenzoate 110.26
    morpholine 228.29
    tert-butylamine 11.54
    n-dodecanol 7.76
    dimethoxymethane 159.75
    ethylene carbonate 237.14
    cyrene 151.31
    2-ethoxyethyl acetate 138.7
    2-ethylhexyl acetate 113.65
    1,2,4-trichlorobenzene 459.67
    4-methylpyridine 366.99
    dibutyl ether 34.78
    2,6-dimethyl-4-heptanol 16.63
    DEF 220.0
    dimethyl isosorbide 280.0
    tetrachloroethylene 432.57
    eugenol 97.84
    triacetin 141.76
    span 80 56.76
    1,4-butanediol 9.94
    1,1-dichloroethane 258.2
    2-methyl-1-pentanol 17.94
    methyl formate 153.27
    2-methyl-1-butanol 17.08
    n-decane 3.14
    butyronitrile 72.51
    3,7-dimethyl-1-octanol 15.15
    1-chlorooctane 18.75
    1-chlorotetradecane 9.49
    n-nonane 2.75
    undecane 2.4
    tert-butylcyclohexane 8.5
    cyclooctane 8.83
    cyclopentanol 57.53
    tetrahydropyran 177.32
    tert-amyl methyl ether 51.26
    2,5,8-trioxanonane 152.78
    1-hexene 21.04
    2-isopropoxyethanol 37.82
    2,2,2-trifluoroethanol 87.95
    methyl butyrate 121.35

    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