5-Methyl-3-thiophenethiol

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  • Identifiers

    CAS number
    2634-17-5

    Molecular formula
    C5H6S2

    SMILES
    CC1=CC(=CS1)S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 83.25%
    Sulfurous 78.59%
    Roasted 71.58%
    Burnt 51.62%
    Savory 46.61%
    Coffee 45.86%
    Beefy 44.09%
    Cooked 41.03%
    Onion 39.23%
    Garlic 36.19%

     

    Flavor
    Roasted 55.16%
    Sulfury 54.0%
    Meaty 52.63%
    Coffee 48.79%
    Sulfurous 45.02%
    Onion 43.41%
    Nutty 37.67%
    Garlic 37.4%
    Sulfur 37.31%
    Roast 34.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.62 (weak acid)

    Molecular weight
    130.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 49.58 ˚C est.

  • Synonyms

    • 5-methylthiophene-3-thiol
    • 5-Methyl-3-thiophenethiol
    • 3-Thiophenethiol, 5-methyl-
    • 2634-17-5
    • WSX35WWR9L
    • 4-Mercapto-2-methylthiophene
    • RefChem:103147
    • UNII-WSX35WWR9L
    • 3-Mercapto-5-methylthiophene
    • SCHEMBL6258948
    • SCHEMBL12778657
    • DTXSID301312467
    • AKOS006370201
    • EN300-344425
    • 2634-17-5

  • Applications

    5-Methyl-3-thiophenethiol (CAS 2634-17-5) is primarily used as an odorant and fragrance ingredient in perfumery and cosmetics, and as a synthetic intermediate for sulfur-containing compounds in pharmaceuticals and agrochemicals. It is also considered for odor applications in household and cleaning products, and may participate in thiol-ene polymer processes as a crosslinking agent or precursor for sulfur-containing polymers. Owing to its sulfur-containing character, it may be evaluated for aroma-related formulations and in coatings/inks under appropriate processing and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.16
    methanol 608.63
    isopropanol 431.34
    water 11.81
    ethyl acetate 512.77
    n-propanol 442.2
    acetone 603.07
    n-butanol 482.68
    acetonitrile 400.24
    DMF 525.51
    toluene 323.15
    isobutanol 333.26
    1,4-dioxane 949.02
    methyl acetate 477.61
    THF 1081.37
    2-butanone 521.17
    n-pentanol 390.65
    sec-butanol 397.74
    n-hexane 100.26
    ethylene glycol 187.09
    NMP 564.38
    cyclohexane 111.25
    DMSO 446.82
    n-butyl acetate 365.22
    n-octanol 255.04
    chloroform 728.24
    n-propyl acetate 286.34
    acetic acid 491.87
    dichloromethane 583.11
    cyclohexanone 549.38
    propylene glycol 217.07
    isopropyl acetate 309.3
    DMAc 479.0
    2-ethoxyethanol 621.72
    isopentanol 386.05
    n-heptane 135.57
    ethyl formate 280.57
    1,2-dichloroethane 365.33
    n-hexanol 517.48
    2-methoxyethanol 824.26
    isobutyl acetate 220.61
    tetrachloromethane 213.07
    n-pentyl acetate 250.25
    transcutol 1131.53
    n-heptanol 266.33
    ethylbenzene 134.24
    MIBK 332.8
    2-propoxyethanol 811.04
    tert-butanol 473.62
    MTBE 464.87
    2-butoxyethanol 444.52
    propionic acid 300.07
    o-xylene 188.32
    formic acid 218.75
    diethyl ether 675.73
    m-xylene 238.34
    p-xylene 155.84
    chlorobenzene 285.19
    dimethyl carbonate 216.55
    n-octane 50.87
    formamide 272.7
    cyclopentanone 565.93
    2-pentanone 500.62
    anisole 335.41
    cyclopentyl methyl ether 582.75
    gamma-butyrolactone 515.81
    1-methoxy-2-propanol 652.71
    pyridine 488.3
    3-pentanone 382.56
    furfural 514.79
    n-dodecane 41.51
    diethylene glycol 572.14
    diisopropyl ether 245.09
    tert-amyl alcohol 409.01
    acetylacetone 463.08
    n-hexadecane 45.98
    acetophenone 259.09
    methyl propionate 380.24
    isopentyl acetate 302.22
    trichloroethylene 570.84
    n-nonanol 230.25
    cyclohexanol 397.8
    benzyl alcohol 267.07
    2-ethylhexanol 301.78
    isooctanol 208.44
    dipropyl ether 414.44
    1,2-dichlorobenzene 238.07
    ethyl lactate 159.93
    propylene carbonate 300.89
    n-methylformamide 321.2
    2-pentanol 378.0
    n-pentane 126.74
    1-propoxy-2-propanol 579.03
    1-methoxy-2-propyl acetate 388.74
    2-(2-methoxypropoxy) propanol 361.27
    mesitylene 152.8
    ε-caprolactone 448.38
    p-cymene 132.66
    epichlorohydrin 630.06
    1,1,1-trichloroethane 457.99
    2-aminoethanol 302.72
    morpholine-4-carbaldehyde 755.38
    sulfolane 446.1
    2,2,4-trimethylpentane 68.02
    2-methyltetrahydrofuran 774.77
    n-hexyl acetate 314.42
    isooctane 67.87
    2-(2-butoxyethoxy)ethanol 493.65
    sec-butyl acetate 219.55
    tert-butyl acetate 345.53
    decalin 67.88
    glycerin 321.51
    diglyme 743.38
    acrylic acid 263.05
    isopropyl myristate 157.68
    n-butyric acid 393.96
    acetyl acetate 306.13
    di(2-ethylhexyl) phthalate 146.86
    ethyl propionate 243.01
    nitromethane 569.82
    1,2-diethoxyethane 519.4
    benzonitrile 267.55
    trioctyl phosphate 112.89
    1-bromopropane 329.64
    gamma-valerolactone 751.81
    n-decanol 177.58
    triethyl phosphate 128.52
    4-methyl-2-pentanol 252.43
    propionitrile 303.77
    vinylene carbonate 294.08
    1,1,2-trichlorotrifluoroethane 465.77
    DMS 217.57
    cumene 106.99
    2-octanol 182.27
    2-hexanone 337.96
    octyl acetate 201.49
    limonene 215.77
    1,2-dimethoxyethane 700.43
    ethyl orthosilicate 140.72
    tributyl phosphate 123.32
    diacetone alcohol 400.76
    N,N-dimethylaniline 222.42
    acrylonitrile 288.47
    aniline 348.01
    1,3-propanediol 422.44
    bromobenzene 277.79
    dibromomethane 438.38
    1,1,2,2-tetrachloroethane 452.92
    2-methyl-cyclohexyl acetate 215.74
    tetrabutyl urea 160.03
    diisobutyl methanol 181.0
    2-phenylethanol 323.79
    styrene 170.55
    dioctyl adipate 187.25
    dimethyl sulfate 241.84
    ethyl butyrate 259.18
    methyl lactate 222.63
    butyl lactate 186.82
    diethyl carbonate 159.52
    propanediol butyl ether 334.16
    triethyl orthoformate 207.94
    p-tert-butyltoluene 140.18
    methyl 4-tert-butylbenzoate 258.11
    morpholine 900.18
    tert-butylamine 335.56
    n-dodecanol 143.02
    dimethoxymethane 638.15
    ethylene carbonate 267.78
    cyrene 326.55
    2-ethoxyethyl acetate 358.17
    2-ethylhexyl acetate 256.49
    1,2,4-trichlorobenzene 291.61
    4-methylpyridine 480.42
    dibutyl ether 253.91
    2,6-dimethyl-4-heptanol 181.0
    DEF 458.21
    dimethyl isosorbide 502.9
    tetrachloroethylene 318.28
    eugenol 276.73
    triacetin 263.26
    span 80 328.34
    1,4-butanediol 234.06
    1,1-dichloroethane 463.91
    2-methyl-1-pentanol 325.82
    methyl formate 272.48
    2-methyl-1-butanol 372.39
    n-decane 65.59
    butyronitrile 356.21
    3,7-dimethyl-1-octanol 237.73
    1-chlorooctane 174.82
    1-chlorotetradecane 87.77
    n-nonane 65.55
    undecane 50.13
    tert-butylcyclohexane 74.94
    cyclooctane 61.28
    cyclopentanol 380.13
    tetrahydropyran 759.93
    tert-amyl methyl ether 392.83
    2,5,8-trioxanonane 571.43
    1-hexene 219.97
    2-isopropoxyethanol 467.18
    2,2,2-trifluoroethanol 231.38
    methyl butyrate 273.93

    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