3-Mercapto-2-methylthiophene

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  • Identifiers

    CAS number
    2527-76-6

    Molecular formula
    C5H6S2

    SMILES
    CC1=C(C=CS1)S

  • Odor profile

    Fragrance
    Meaty 86.34%
    Sulfurous 77.19%
    Roasted 74.14%
    Beefy 54.03%
    Savory 48.06%
    Burnt 47.27%
    Coffee 42.88%
    Cooked 42.29%
    Onion 41.26%
    Garlic 35.64%

     

    Flavor
    Sulfury 66.75%
    Sulfurous 62.75%
    Meaty 62.1%
    Onion 61.69%
    Roasted 60.0%
    Garlic 53.74%
    Coffee 52.63%
    Sulfur 48.58%
    Fishy 41.88%
    Alliaceous 39.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.03 (neutral)

    Molecular weight
    130.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 27.00 °C. @ 760.00 mm Hg

    Boiling point

    • 186.00 to 187.00 °C. @ 760.00 mm Hg

    Flash point

    • 46.32 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • 2-Methylthiophene-3-thiol
    • 2527-76-6
    • 2-methyl-3-thiophenethiol
    • 3-Thiophenethiol, 2-methyl-
    • 2-Methyl-3-mercaptothiophene
    • 3-Mercapto-2-methylthiophene
    • 2-methyl-3-thiophenthiol
    • 2-methyl-3-thienylthiol
    • EINECS 219-770-6
    • 6UN26XGT78
    • Thiophen-3-thiol, 2-methyl
    • DTXSID80179920
    • UNII-6UN26XGT78
    • 2-Methylthiophen-3-thiol
    • 2-Methyl-thiopene-3-thiol
    • 3-Thiophenthiol, 2-methyl
    • SCHEMBL1052628
    • DTXCID40102411
    • MFCD12911611
    • AKOS015842465
    • DB-024758
    • NS00021938
    • A10974
    • EN300-7133214
    • Q27265539
    • 219-770-6

  • Applications

    3-Mercapto-2-methylthiophene (CAS 2527-76-6) is an organosulfur heteroaromatic compound bearing a thiol group, commonly used as a building block in organic synthesis. Real-world applications include serving as an intermediate or building block for pharmaceuticals and agrochemicals; acting as an odorant note or fragrance intermediate in the fragrance industry; providing a thiophene-based polymer and materials building block; functioning as a ligand or chelating agent in metal-catalyzed processes; and as a thiol-functional additive for coatings, inks, or adhesive systems, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.05
    methanol 131.07
    isopropanol 84.31
    water 4.53
    ethyl acetate 125.11
    n-propanol 105.84
    acetone 124.76
    n-butanol 103.28
    acetonitrile 103.66
    DMF 237.64
    toluene 100.46
    isobutanol 71.63
    1,4-dioxane 303.17
    methyl acetate 157.56
    THF 215.99
    2-butanone 149.56
    n-pentanol 80.57
    sec-butanol 101.23
    n-hexane 10.77
    ethylene glycol 44.72
    NMP 153.91
    cyclohexane 16.42
    DMSO 148.31
    n-butyl acetate 72.84
    n-octanol 57.05
    chloroform 347.82
    n-propyl acetate 75.94
    acetic acid 106.91
    dichloromethane 239.87
    cyclohexanone 132.7
    propylene glycol 50.68
    isopropyl acetate 89.57
    DMAc 307.78
    2-ethoxyethanol 180.88
    isopentanol 88.44
    n-heptane 17.56
    ethyl formate 79.2
    1,2-dichloroethane 128.61
    n-hexanol 79.02
    2-methoxyethanol 230.14
    isobutyl acetate 59.18
    tetrachloromethane 104.83
    n-pentyl acetate 72.19
    transcutol 379.85
    n-heptanol 67.76
    ethylbenzene 61.74
    MIBK 81.7
    2-propoxyethanol 160.4
    tert-butanol 101.32
    MTBE 118.04
    2-butoxyethanol 132.01
    propionic acid 81.4
    o-xylene 82.32
    formic acid 67.98
    diethyl ether 124.9
    m-xylene 72.15
    p-xylene 83.49
    chlorobenzene 117.81
    dimethyl carbonate 76.34
    n-octane 10.51
    formamide 140.12
    cyclopentanone 135.47
    2-pentanone 104.27
    anisole 170.87
    cyclopentyl methyl ether 104.11
    gamma-butyrolactone 126.3
    1-methoxy-2-propanol 171.18
    pyridine 230.4
    3-pentanone 103.85
    furfural 195.16
    n-dodecane 9.22
    diethylene glycol 124.04
    diisopropyl ether 50.65
    tert-amyl alcohol 114.26
    acetylacetone 137.43
    n-hexadecane 10.31
    acetophenone 141.65
    methyl propionate 103.96
    isopentyl acetate 76.91
    trichloroethylene 305.47
    n-nonanol 58.91
    cyclohexanol 77.77
    benzyl alcohol 115.2
    2-ethylhexanol 61.27
    isooctanol 59.12
    dipropyl ether 73.19
    1,2-dichlorobenzene 122.17
    ethyl lactate 47.32
    propylene carbonate 83.0
    n-methylformamide 126.08
    2-pentanol 83.25
    n-pentane 16.01
    1-propoxy-2-propanol 113.06
    1-methoxy-2-propyl acetate 114.85
    2-(2-methoxypropoxy) propanol 133.03
    mesitylene 49.53
    ε-caprolactone 122.77
    p-cymene 47.85
    epichlorohydrin 197.25
    1,1,1-trichloroethane 199.64
    2-aminoethanol 84.19
    morpholine-4-carbaldehyde 251.74
    sulfolane 133.6
    2,2,4-trimethylpentane 12.77
    2-methyltetrahydrofuran 143.9
    n-hexyl acetate 79.29
    isooctane 10.44
    2-(2-butoxyethoxy)ethanol 168.54
    sec-butyl acetate 64.64
    tert-butyl acetate 112.5
    decalin 15.58
    glycerin 80.48
    diglyme 319.35
    acrylic acid 79.86
    isopropyl myristate 49.04
    n-butyric acid 96.14
    acetyl acetate 96.19
    di(2-ethylhexyl) phthalate 48.91
    ethyl propionate 73.3
    nitromethane 198.34
    1,2-diethoxyethane 170.49
    benzonitrile 105.22
    trioctyl phosphate 31.77
    1-bromopropane 82.06
    gamma-valerolactone 227.57
    n-decanol 45.16
    triethyl phosphate 47.29
    4-methyl-2-pentanol 57.25
    propionitrile 92.69
    vinylene carbonate 102.91
    1,1,2-trichlorotrifluoroethane 190.33
    DMS 79.81
    cumene 48.54
    2-octanol 48.01
    2-hexanone 89.71
    octyl acetate 55.87
    limonene 57.11
    1,2-dimethoxyethane 268.8
    ethyl orthosilicate 52.37
    tributyl phosphate 34.85
    diacetone alcohol 123.67
    N,N-dimethylaniline 123.67
    acrylonitrile 113.2
    aniline 127.3
    1,3-propanediol 108.75
    bromobenzene 114.27
    dibromomethane 144.58
    1,1,2,2-tetrachloroethane 228.45
    2-methyl-cyclohexyl acetate 74.53
    tetrabutyl urea 48.72
    diisobutyl methanol 45.12
    2-phenylethanol 110.79
    styrene 78.29
    dioctyl adipate 62.92
    dimethyl sulfate 119.31
    ethyl butyrate 71.79
    methyl lactate 68.43
    butyl lactate 55.29
    diethyl carbonate 52.55
    propanediol butyl ether 82.13
    triethyl orthoformate 65.46
    p-tert-butyltoluene 49.38
    methyl 4-tert-butylbenzoate 112.23
    morpholine 252.48
    tert-butylamine 71.7
    n-dodecanol 36.46
    dimethoxymethane 188.65
    ethylene carbonate 77.35
    cyrene 116.51
    2-ethoxyethyl acetate 121.18
    2-ethylhexyl acetate 64.59
    1,2,4-trichlorobenzene 152.23
    4-methylpyridine 204.25
    dibutyl ether 66.61
    2,6-dimethyl-4-heptanol 45.12
    DEF 137.61
    dimethyl isosorbide 194.03
    tetrachloroethylene 188.22
    eugenol 137.78
    triacetin 102.8
    span 80 102.13
    1,4-butanediol 51.52
    1,1-dichloroethane 148.41
    2-methyl-1-pentanol 83.16
    methyl formate 85.34
    2-methyl-1-butanol 87.74
    n-decane 14.08
    butyronitrile 80.17
    3,7-dimethyl-1-octanol 57.11
    1-chlorooctane 43.37
    1-chlorotetradecane 22.71
    n-nonane 12.22
    undecane 11.01
    tert-butylcyclohexane 17.08
    cyclooctane 9.58
    cyclopentanol 72.36
    tetrahydropyran 153.52
    tert-amyl methyl ether 110.33
    2,5,8-trioxanonane 239.45
    1-hexene 36.44
    2-isopropoxyethanol 131.5
    2,2,2-trifluoroethanol 72.02
    methyl butyrate 87.05

    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