2-Thiophenethiol

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  • Identifiers

    CAS number
    7774-74-5

    Molecular formula
    C4H4S2

    SMILES
    C1=CSC(=C1)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 87.54%
    Meaty 81.92%
    Roasted 69.7%
    Burnt 64.4%
    Coffee 55.15%
    Garlic 50.03%
    Beefy 48.76%
    Savory 47.55%
    Alliaceous 43.44%
    Cooked 42.1%

     

    Flavor
    Sulfurous 58.52%
    Sulfury 56.62%
    Garlic 54.32%
    Onion 53.57%
    Sulfur 52.58%
    Roasted 48.82%
    Meaty 48.72%
    Coffee 43.76%
    Alliaceous 42.67%
    Fishy 39.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.18 (neutral)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 166.00 °C. @ 760.00 mm Hg

    Flash point

    • 35.96 ˚C est.

    Solubility expt.

    • Very slightly soluble in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Thiophene-2-thiol
    • 2-Thiophenethiol
    • 7774-74-5
    • 2-Mercaptothiophene
    • thiophenethiol
    • 2-Thienyl mercaptan
    • 2-Thienylthiol
    • 2-thienylmercaptan
    • FEMA No. 3062
    • Thienylmercaptan
    • UNII-F3LB1437XQ
    • F3LB1437XQ
    • EINECS 231-881-1
    • DTXSID40228362
    • 2-THIENYL MERCAPTAN [FHFI]
    • 2-thiophene thiol
    • 2-Sulphanylthiophene
    • alpha-Thienyl mercaptan
    • thiophene thiol
    • C4H4S2
    • thiophen-2-thiol
    • 2-Sulfanylthiophene
    • 2-mercapto thiophene
    • MFCD00051666
    • 2-Thienyl hydrosulfide
    • .alpha.-Thienyl mercaptan
    • 2-Thienyl hydrosulfide #
    • SCHEMBL139805
    • FEMA 3062
    • DTXCID60150853
    • 2-Thiophenethiol, >=90%, FG
    • CHEBI:185433
    • 2-Mercaptothiophene;Thienylmercaptan
    • STR03022
    • AKOS009156526
    • CS-W016596
    • PS-4717
    • BP-10239
    • DB-006174
    • DB-182468
    • NS00045291
    • T1680
    • EN300-31767
    • Q27277589

  • Applications

    2-Thiophenethiol (CAS 7774-74-5) is used as a reactive building block in organic synthesis to introduce the thiophene ring and the thiol functionality into downstream compounds; it is commonly evaluated as an odorant or fragrance intermediate due to its sulfur-containing notes, with use subject to local regulations and formulation limits. In coatings and adhesives, it can participate in thiol-ene and related crosslinking reactions, acting as a reactive co-monomer or crosslinker. In polymer and electronics research, it serves as a starting material for thiophene-based polymers and small molecules for organic electronics, and can function as a precursor or ligand in coordination chemistry and catalysis. It may also be considered as a surface modifier for metal substrates in sensor or device research via thiol functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 171.7
    methanol 195.85
    isopropanol 127.98
    water 6.48
    ethyl acetate 169.82
    n-propanol 158.14
    acetone 217.87
    n-butanol 148.99
    acetonitrile 149.86
    DMF 355.53
    toluene 106.42
    isobutanol 102.94
    1,4-dioxane 352.42
    methyl acetate 219.11
    THF 288.11
    2-butanone 230.3
    n-pentanol 126.98
    sec-butanol 145.76
    n-hexane 7.95
    ethylene glycol 82.97
    NMP 237.3
    cyclohexane 10.85
    DMSO 208.67
    n-butyl acetate 96.85
    n-octanol 76.36
    chloroform 397.67
    n-propyl acetate 116.64
    acetic acid 168.15
    dichloromethane 245.38
    cyclohexanone 174.59
    propylene glycol 102.02
    isopropyl acetate 115.87
    DMAc 491.98
    2-ethoxyethanol 284.57
    isopentanol 123.96
    n-heptane 16.09
    ethyl formate 110.35
    1,2-dichloroethane 132.65
    n-hexanol 112.19
    2-methoxyethanol 358.6
    isobutyl acetate 81.34
    tetrachloromethane 90.55
    n-pentyl acetate 89.45
    transcutol 586.86
    n-heptanol 85.4
    ethylbenzene 56.68
    MIBK 121.96
    2-propoxyethanol 240.66
    tert-butanol 146.17
    MTBE 156.74
    2-butoxyethanol 184.7
    propionic acid 128.88
    o-xylene 79.33
    formic acid 95.69
    diethyl ether 154.23
    m-xylene 74.06
    p-xylene 73.59
    chlorobenzene 122.36
    dimethyl carbonate 105.34
    n-octane 8.75
    formamide 171.45
    cyclopentanone 195.3
    2-pentanone 168.01
    anisole 205.06
    cyclopentyl methyl ether 136.9
    gamma-butyrolactone 189.72
    1-methoxy-2-propanol 273.2
    pyridine 277.76
    3-pentanone 144.54
    furfural 271.42
    n-dodecane 8.8
    diethylene glycol 200.31
    diisopropyl ether 55.76
    tert-amyl alcohol 161.13
    acetylacetone 207.89
    n-hexadecane 9.69
    acetophenone 177.15
    methyl propionate 151.75
    isopentyl acetate 88.4
    trichloroethylene 353.94
    n-nonanol 74.81
    cyclohexanol 96.46
    benzyl alcohol 163.58
    2-ethylhexanol 78.13
    isooctanol 70.68
    dipropyl ether 97.25
    1,2-dichlorobenzene 119.78
    ethyl lactate 74.98
    propylene carbonate 116.59
    n-methylformamide 182.21
    2-pentanol 116.13
    n-pentane 12.08
    1-propoxy-2-propanol 176.47
    1-methoxy-2-propyl acetate 145.6
    2-(2-methoxypropoxy) propanol 186.55
    mesitylene 44.5
    ε-caprolactone 163.92
    p-cymene 46.43
    epichlorohydrin 260.57
    1,1,1-trichloroethane 200.53
    2-aminoethanol 145.32
    morpholine-4-carbaldehyde 391.31
    sulfolane 189.39
    2,2,4-trimethylpentane 12.3
    2-methyltetrahydrofuran 197.12
    n-hexyl acetate 103.75
    isooctane 9.11
    2-(2-butoxyethoxy)ethanol 245.42
    sec-butyl acetate 94.22
    tert-butyl acetate 133.24
    decalin 11.75
    glycerin 154.65
    diglyme 413.74
    acrylic acid 132.56
    isopropyl myristate 57.24
    n-butyric acid 137.64
    acetyl acetate 120.81
    di(2-ethylhexyl) phthalate 60.37
    ethyl propionate 100.95
    nitromethane 284.38
    1,2-diethoxyethane 211.17
    benzonitrile 132.43
    trioctyl phosphate 38.39
    1-bromopropane 83.83
    gamma-valerolactone 331.7
    n-decanol 57.81
    triethyl phosphate 53.18
    4-methyl-2-pentanol 79.74
    propionitrile 123.11
    vinylene carbonate 137.08
    1,1,2-trichlorotrifluoroethane 299.98
    DMS 98.71
    cumene 44.27
    2-octanol 58.59
    2-hexanone 140.5
    octyl acetate 70.63
    limonene 62.54
    1,2-dimethoxyethane 346.87
    ethyl orthosilicate 58.51
    tributyl phosphate 40.89
    diacetone alcohol 175.02
    N,N-dimethylaniline 140.49
    acrylonitrile 158.14
    aniline 165.89
    1,3-propanediol 171.09
    bromobenzene 112.27
    dibromomethane 142.99
    1,1,2,2-tetrachloroethane 272.44
    2-methyl-cyclohexyl acetate 85.06
    tetrabutyl urea 60.89
    diisobutyl methanol 52.87
    2-phenylethanol 141.87
    styrene 77.55
    dioctyl adipate 76.48
    dimethyl sulfate 156.54
    ethyl butyrate 94.91
    methyl lactate 106.42
    butyl lactate 73.14
    diethyl carbonate 63.05
    propanediol butyl ether 137.59
    triethyl orthoformate 79.57
    p-tert-butyltoluene 47.06
    methyl 4-tert-butylbenzoate 129.16
    morpholine 339.61
    tert-butylamine 86.27
    n-dodecanol 46.86
    dimethoxymethane 252.51
    ethylene carbonate 102.86
    cyrene 172.82
    2-ethoxyethyl acetate 153.43
    2-ethylhexyl acetate 76.39
    1,2,4-trichlorobenzene 173.17
    4-methylpyridine 243.32
    dibutyl ether 81.27
    2,6-dimethyl-4-heptanol 52.87
    DEF 213.3
    dimethyl isosorbide 244.96
    tetrachloroethylene 192.17
    eugenol 166.04
    triacetin 143.52
    span 80 141.88
    1,4-butanediol 89.46
    1,1-dichloroethane 164.7
    2-methyl-1-pentanol 121.66
    methyl formate 122.6
    2-methyl-1-butanol 122.63
    n-decane 12.92
    butyronitrile 110.54
    3,7-dimethyl-1-octanol 76.79
    1-chlorooctane 45.77
    1-chlorotetradecane 23.51
    n-nonane 11.47
    undecane 10.27
    tert-butylcyclohexane 14.42
    cyclooctane 6.25
    cyclopentanol 103.92
    tetrahydropyran 191.17
    tert-amyl methyl ether 144.19
    2,5,8-trioxanonane 305.06
    1-hexene 37.13
    2-isopropoxyethanol 204.06
    2,2,2-trifluoroethanol 97.62
    methyl butyrate 125.35

    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