3-Thiophenethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7774-73-4

    Molecular formula
    C4H4S2

    SMILES
    C1=CSC=C1S

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 83.52%
    Meaty 81.34%
    Roasted 62.39%
    Burnt 51.6%
    Garlic 48.49%
    Beefy 46.74%
    Savory 46.14%
    Cooked 44.52%
    Coffee 40.98%
    Onion 40.39%

     

    Flavor
    Sulfurous 52.96%
    Sulfury 52.95%
    Garlic 51.9%
    Onion 51.06%
    Meaty 49.6%
    Roasted 47.04%
    Sulfur 46.14%
    Coffee 42.01%
    Alliaceous 39.19%
    Fishy 36.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.46 (neutral)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    175°C

    Flash point

    • 40.81 ˚C est.

  • Synonyms

    • Thiophene-3-thiol
    • 3-Thiophenethiol
    • 7774-73-4
    • 3-mercaptothiophene
    • 3-Thienyl mercaptan
    • Thiophen-3-thiol
    • UNII-2PG6284B35
    • 3-Thienyl hydrosulfide
    • EINECS 231-880-6
    • 2PG6284B35
    • DTXSID6064799
    • 3-thiophenthiol
    • MFCD11870138
    • SCHEMBL595581
    • DTXCID1047994
    • AKOS015900012
    • DB-024756
    • CS-0215996
    • NS00022782
    • EN300-317817
    • Q27255396

  • Applications

    3-Thiophenethiol (CAS 7774-73-4) serves as a reactive thiol building block in organic synthesis and is used across several industrial contexts. It can function as an odorant/fragrance precursor in perfumery due to its distinctive sulfur-containing aroma. It is employed as a monofunctional thiol for thiol-ene chemistry, enabling crosslinking and network formation in UV-curable coatings, adhesives, and polymer formulations. It also acts as a surface modifier or coupling partner for electronics and sensor applications by forming self-assembled monolayers on metal surfaces. In addition, it is used as an intermediate in the synthesis of heterocyclic compounds and other fine chemicals for pharmaceutical and agrochemical development. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.99
    methanol 183.26
    isopropanol 111.7
    water 7.43
    ethyl acetate 117.47
    n-propanol 137.67
    acetone 173.13
    n-butanol 130.13
    acetonitrile 112.18
    DMF 212.8
    toluene 69.21
    isobutanol 89.73
    1,4-dioxane 246.18
    methyl acetate 142.69
    THF 257.24
    2-butanone 174.98
    n-pentanol 109.74
    sec-butanol 117.38
    n-hexane 8.18
    ethylene glycol 87.42
    NMP 177.32
    cyclohexane 11.01
    DMSO 172.7
    n-butyl acetate 95.87
    n-octanol 70.15
    chloroform 263.28
    n-propyl acetate 96.06
    acetic acid 162.52
    dichloromethane 159.99
    cyclohexanone 139.54
    propylene glycol 98.36
    isopropyl acetate 79.44
    DMAc 278.88
    2-ethoxyethanol 220.72
    isopentanol 108.07
    n-heptane 18.13
    ethyl formate 78.19
    1,2-dichloroethane 98.72
    n-hexanol 114.33
    2-methoxyethanol 301.42
    isobutyl acetate 70.83
    tetrachloromethane 58.66
    n-pentyl acetate 76.75
    transcutol 536.51
    n-heptanol 81.84
    ethylbenzene 37.89
    MIBK 96.03
    2-propoxyethanol 217.03
    tert-butanol 122.8
    MTBE 107.85
    2-butoxyethanol 173.48
    propionic acid 113.81
    o-xylene 53.12
    formic acid 90.55
    diethyl ether 119.93
    m-xylene 50.92
    p-xylene 47.72
    chlorobenzene 79.92
    dimethyl carbonate 65.86
    n-octane 7.98
    formamide 133.27
    cyclopentanone 165.35
    2-pentanone 133.15
    anisole 129.32
    cyclopentyl methyl ether 125.13
    gamma-butyrolactone 155.12
    1-methoxy-2-propanol 221.86
    pyridine 214.93
    3-pentanone 109.6
    furfural 198.55
    n-dodecane 7.46
    diethylene glycol 185.31
    diisopropyl ether 41.08
    tert-amyl alcohol 126.24
    acetylacetone 144.73
    n-hexadecane 8.03
    acetophenone 127.26
    methyl propionate 110.6
    isopentyl acetate 77.13
    trichloroethylene 228.37
    n-nonanol 69.64
    cyclohexanol 89.73
    benzyl alcohol 121.01
    2-ethylhexanol 75.95
    isooctanol 66.19
    dipropyl ether 101.53
    1,2-dichlorobenzene 76.25
    ethyl lactate 63.47
    propylene carbonate 88.74
    n-methylformamide 125.71
    2-pentanol 98.61
    n-pentane 11.47
    1-propoxy-2-propanol 172.32
    1-methoxy-2-propyl acetate 116.61
    2-(2-methoxypropoxy) propanol 155.78
    mesitylene 29.4
    ε-caprolactone 127.52
    p-cymene 39.98
    epichlorohydrin 199.24
    1,1,1-trichloroethane 116.76
    2-aminoethanol 137.22
    morpholine-4-carbaldehyde 265.53
    sulfolane 154.69
    2,2,4-trimethylpentane 10.15
    2-methyltetrahydrofuran 177.0
    n-hexyl acetate 84.85
    isooctane 7.3
    2-(2-butoxyethoxy)ethanol 218.34
    sec-butyl acetate 72.92
    tert-butyl acetate 91.38
    decalin 8.84
    glycerin 156.11
    diglyme 331.62
    acrylic acid 114.52
    isopropyl myristate 44.35
    n-butyric acid 123.68
    acetyl acetate 81.41
    di(2-ethylhexyl) phthalate 49.34
    ethyl propionate 78.57
    nitromethane 182.9
    1,2-diethoxyethane 185.98
    benzonitrile 96.61
    trioctyl phosphate 32.25
    1-bromopropane 61.6
    gamma-valerolactone 235.6
    n-decanol 53.85
    triethyl phosphate 44.57
    4-methyl-2-pentanol 66.1
    propionitrile 96.83
    vinylene carbonate 96.07
    1,1,2-trichlorotrifluoroethane 229.21
    DMS 70.42
    cumene 30.66
    2-octanol 51.1
    2-hexanone 113.63
    octyl acetate 57.99
    limonene 53.61
    1,2-dimethoxyethane 242.27
    ethyl orthosilicate 49.69
    tributyl phosphate 33.6
    diacetone alcohol 141.66
    N,N-dimethylaniline 98.96
    acrylonitrile 118.23
    aniline 129.9
    1,3-propanediol 157.14
    bromobenzene 69.05
    dibromomethane 99.82
    1,1,2,2-tetrachloroethane 188.54
    2-methyl-cyclohexyl acetate 75.5
    tetrabutyl urea 52.47
    diisobutyl methanol 48.33
    2-phenylethanol 120.86
    styrene 51.54
    dioctyl adipate 63.34
    dimethyl sulfate 94.09
    ethyl butyrate 84.43
    methyl lactate 81.23
    butyl lactate 68.04
    diethyl carbonate 52.28
    propanediol butyl ether 134.94
    triethyl orthoformate 72.33
    p-tert-butyltoluene 40.06
    methyl 4-tert-butylbenzoate 101.73
    morpholine 256.08
    tert-butylamine 74.9
    n-dodecanol 43.24
    dimethoxymethane 173.97
    ethylene carbonate 75.35
    cyrene 136.33
    2-ethoxyethyl acetate 121.5
    2-ethylhexyl acetate 68.05
    1,2,4-trichlorobenzene 112.22
    4-methylpyridine 170.02
    dibutyl ether 72.98
    2,6-dimethyl-4-heptanol 48.33
    DEF 145.1
    dimethyl isosorbide 192.77
    tetrachloroethylene 138.6
    eugenol 123.76
    triacetin 105.65
    span 80 126.33
    1,4-butanediol 83.34
    1,1-dichloroethane 108.7
    2-methyl-1-pentanol 99.93
    methyl formate 85.7
    2-methyl-1-butanol 105.27
    n-decane 11.45
    butyronitrile 88.59
    3,7-dimethyl-1-octanol 67.33
    1-chlorooctane 37.24
    1-chlorotetradecane 18.54
    n-nonane 10.58
    undecane 8.83
    tert-butylcyclohexane 10.52
    cyclooctane 5.46
    cyclopentanol 98.3
    tetrahydropyran 169.03
    tert-amyl methyl ether 100.09
    2,5,8-trioxanonane 260.73
    1-hexene 32.7
    2-isopropoxyethanol 167.64
    2,2,2-trifluoroethanol 84.5
    methyl butyrate 95.03

    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