2-Pyridinemethanethiol

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  • Identifiers

    CAS number
    2044-73-7

    Molecular formula
    C6H7NS

    SMILES
    C1=CC=NC(=C1)CS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 84.21%
    Meaty 78.15%
    Roasted 76.21%
    Coffee 59.1%
    Burnt 54.5%
    Fatty 53.03%
    Savory 52.0%
    Beefy 50.95%
    Alliaceous 44.17%
    Onion 42.24%

     

    Flavor
    Roasted 61.01%
    Sulfury 53.59%
    Sulfurous 52.4%
    Coffee 51.63%
    Meaty 48.85%
    Sulfur 43.44%
    Onion 42.75%
    Fishy 41.15%
    Roast 40.57%
    Garlic 37.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.6 (neutral)

    Molecular weight
    125.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 57.00 to 58.00 °C. @ 0.60 mm Hg

    Flash point

    • 74.8 ˚C est.

    Solubility expt.

    • Soluble (in ethanol)

  • Synonyms

    • 2-Pyridinemethanethiol
    • 2044-73-7
    • pyridin-2-ylmethanethiol
    • 2-Picolylthiol
    • Pyridine-2-methanethiol
    • Pyridine-2-thiocarbinol
    • 2-Pyridinylmethanethiol
    • 2-pyridylmethanethiol
    • 2-Pyridylmethyl mercaptan
    • 2-(Mercaptomethyl)pyridine
    • 2-Pyridinylmethyl mercaptan
    • FEMA No. 3232
    • Pyridin-2-yl-methanethiol
    • UNII-PB9B741VC3
    • EINECS 218-061-9
    • NSC 82320
    • 2-PYRIDINE METHANETHIOL
    • PB9B741VC3
    • BRN 0107853
    • 2-pyridinyl methane thiol
    • (pyridin-2-yl)methanethiol
    • MFCD00051592
    • NSC-82320
    • 5-21-02-00161 (Beilstein Handbook Reference)
    • 2-(Sulphanylmethyl)pyridine
    • DTXSID6062127
    • 2-PYRIDINE METHANETHIOL [FHFI]
    • fema 3232
    • 2-(Thiomethyl)pyridine
    • 2-mercaptomethylpyridine
    • methanethiol, 2-pyridyl-
    • 2-Pyridyl methyl mercaptan
    • SCHEMBL178067
    • DTXCID2036295
    • CAA04473
    • CS-D0562
    • NSC82320
    • BBL102203
    • STL556002
    • AKOS006273805
    • MS-20394
    • Pyridin-2-ylmethanethiol, in ethyl acetate
    • DB-000170
    • NS00021829
    • EN300-252176
    • Y10072
    • Q27286450
    • 218-061-9

  • Applications

    2-Pyridinemethanethiol, CAS 2044-73-7, is a pyridine-based thiol (2-(thiomethyl)pyridine) that serves as a versatile synthetic intermediate for pharmaceuticals and agrochemicals; it also functions as a ligand/chelating agent in coordination chemistry and catalysis; it is a building block for thioether-functionalized pyridine ligands used in functional materials and surface coatings; and it may be evaluated as an odorant or fragrance intermediate in perfumery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.39
    methanol 373.4
    isopropanol 142.15
    water 8.54
    ethyl acetate 157.62
    n-propanol 173.56
    acetone 380.49
    n-butanol 144.4
    acetonitrile 257.89
    DMF 573.46
    toluene 126.34
    isobutanol 121.55
    1,4-dioxane 494.37
    methyl acetate 203.85
    THF 434.91
    2-butanone 247.39
    n-pentanol 137.87
    sec-butanol 124.61
    n-hexane 22.98
    ethylene glycol 129.62
    NMP 552.93
    cyclohexane 22.46
    DMSO 882.28
    n-butyl acetate 129.55
    n-octanol 69.54
    chloroform 552.06
    n-propyl acetate 130.57
    acetic acid 276.49
    dichloromethane 537.32
    cyclohexanone 330.4
    propylene glycol 88.53
    isopropyl acetate 87.47
    DMAc 454.42
    2-ethoxyethanol 258.38
    isopentanol 112.88
    n-heptane 24.24
    ethyl formate 137.3
    1,2-dichloroethane 317.72
    n-hexanol 128.76
    2-methoxyethanol 354.28
    isobutyl acetate 98.67
    tetrachloromethane 124.64
    n-pentyl acetate 95.63
    transcutol 619.33
    n-heptanol 72.27
    ethylbenzene 52.79
    MIBK 109.43
    2-propoxyethanol 226.88
    tert-butanol 144.68
    MTBE 123.84
    2-butoxyethanol 140.35
    propionic acid 184.55
    o-xylene 76.0
    formic acid 152.9
    diethyl ether 166.88
    m-xylene 78.65
    p-xylene 75.49
    chlorobenzene 183.84
    dimethyl carbonate 89.89
    n-octane 11.31
    formamide 182.45
    cyclopentanone 422.02
    2-pentanone 171.28
    anisole 138.88
    cyclopentyl methyl ether 194.51
    gamma-butyrolactone 395.62
    1-methoxy-2-propanol 211.47
    pyridine 374.75
    3-pentanone 150.55
    furfural 417.37
    n-dodecane 10.78
    diethylene glycol 247.12
    diisopropyl ether 46.87
    tert-amyl alcohol 116.07
    acetylacetone 199.36
    n-hexadecane 11.75
    acetophenone 139.67
    methyl propionate 151.59
    isopentyl acetate 100.58
    trichloroethylene 511.85
    n-nonanol 60.89
    cyclohexanol 124.42
    benzyl alcohol 123.93
    2-ethylhexanol 78.15
    isooctanol 60.98
    dipropyl ether 105.3
    1,2-dichlorobenzene 151.71
    ethyl lactate 74.43
    propylene carbonate 174.98
    n-methylformamide 253.82
    2-pentanol 87.4
    n-pentane 21.42
    1-propoxy-2-propanol 146.78
    1-methoxy-2-propyl acetate 116.83
    2-(2-methoxypropoxy) propanol 131.26
    mesitylene 49.7
    ε-caprolactone 233.14
    p-cymene 44.83
    epichlorohydrin 392.86
    1,1,1-trichloroethane 253.2
    2-aminoethanol 156.41
    morpholine-4-carbaldehyde 504.12
    sulfolane 505.56
    2,2,4-trimethylpentane 14.12
    2-methyltetrahydrofuran 281.25
    n-hexyl acetate 117.21
    isooctane 11.02
    2-(2-butoxyethoxy)ethanol 183.74
    sec-butyl acetate 77.76
    tert-butyl acetate 92.19
    decalin 18.57
    glycerin 159.04
    diglyme 346.03
    acrylic acid 190.64
    isopropyl myristate 51.92
    n-butyric acid 172.53
    acetyl acetate 106.72
    di(2-ethylhexyl) phthalate 60.35
    ethyl propionate 94.35
    nitromethane 443.24
    1,2-diethoxyethane 187.9
    benzonitrile 179.49
    trioctyl phosphate 46.12
    1-bromopropane 177.76
    gamma-valerolactone 481.69
    n-decanol 49.42
    triethyl phosphate 55.37
    4-methyl-2-pentanol 57.46
    propionitrile 170.74
    vinylene carbonate 193.45
    1,1,2-trichlorotrifluoroethane 286.88
    DMS 110.68
    cumene 45.15
    2-octanol 49.85
    2-hexanone 154.93
    octyl acetate 67.45
    limonene 61.42
    1,2-dimethoxyethane 344.06
    ethyl orthosilicate 53.59
    tributyl phosphate 53.61
    diacetone alcohol 122.36
    N,N-dimethylaniline 105.03
    acrylonitrile 221.3
    aniline 160.29
    1,3-propanediol 171.76
    bromobenzene 187.06
    dibromomethane 352.18
    1,1,2,2-tetrachloroethane 378.85
    2-methyl-cyclohexyl acetate 78.34
    tetrabutyl urea 80.06
    diisobutyl methanol 48.35
    2-phenylethanol 113.57
    styrene 78.09
    dioctyl adipate 72.69
    dimethyl sulfate 175.52
    ethyl butyrate 92.73
    methyl lactate 97.82
    butyl lactate 82.95
    diethyl carbonate 64.56
    propanediol butyl ether 131.22
    triethyl orthoformate 67.51
    p-tert-butyltoluene 42.46
    methyl 4-tert-butylbenzoate 101.91
    morpholine 402.12
    tert-butylamine 89.08
    n-dodecanol 41.71
    dimethoxymethane 270.48
    ethylene carbonate 150.48
    cyrene 144.1
    2-ethoxyethyl acetate 139.42
    2-ethylhexyl acetate 83.7
    1,2,4-trichlorobenzene 183.69
    4-methylpyridine 321.68
    dibutyl ether 87.87
    2,6-dimethyl-4-heptanol 48.35
    DEF 233.09
    dimethyl isosorbide 189.24
    tetrachloroethylene 293.56
    eugenol 123.84
    triacetin 125.69
    span 80 110.91
    1,4-butanediol 109.05
    1,1-dichloroethane 274.57
    2-methyl-1-pentanol 113.01
    methyl formate 194.58
    2-methyl-1-butanol 111.12
    n-decane 15.16
    butyronitrile 157.93
    3,7-dimethyl-1-octanol 66.07
    1-chlorooctane 54.98
    1-chlorotetradecane 25.49
    n-nonane 14.8
    undecane 12.43
    tert-butylcyclohexane 19.48
    cyclooctane 9.98
    cyclopentanol 154.48
    tetrahydropyran 285.01
    tert-amyl methyl ether 93.22
    2,5,8-trioxanonane 246.52
    1-hexene 71.22
    2-isopropoxyethanol 176.63
    2,2,2-trifluoroethanol 119.2
    methyl butyrate 132.95

    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