Pyridine, 2-(methylthio)-

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  • Identifiers

    CAS number
    18438-38-5

    Molecular formula
    C6H7NS

    SMILES
    CSC1=CC=CC=N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 66.5%
    Roasted 58.44%
    Meaty 54.94%
    Vegetable 50.1%
    Burnt 49.35%
    Coffee 47.89%
    Nutty 45.97%
    Onion 45.74%
    Alliaceous 44.34%
    Smoky 42.56%

     

    Flavor
    Green 50.3%
    Roasted 46.0%
    Nutty 45.05%
    Vegetable 41.7%
    Sulfury 36.56%
    Meaty 36.48%
    Sulfurous 36.13%
    Sulfur 34.99%
    Onion 34.16%
    Coffee 33.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    4.16 (weak acid)

    Molecular weight
    125.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 72.06 ˚C est.

  • Synonyms

    • 18438-38-5
    • 2-(Methylthio)pyridine
    • PYRIDINE, 2-(METHYLTHIO)-
    • Methyl 2-pyridyl sulfide
    • 2-Pyridyl methyl sulfide
    • 2-Methylthiolpyridine
    • Methylthio-2 pyridine
    • Methylthio-2 pyridine [French]
    • BRN 0108190
    • DTXSID00171567
    • 5-21-02-00033 (Beilstein Handbook Reference)
    • RefChem:870614
    • DTXCID7094058
    • 623-744-3
    • InChI=1/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H
    • 2-Methylthiopyridine
    • 2-methylsulfanylpyridine
    • 2-(Methylsulfanyl)pyridine
    • MFCD01691593
    • 2-Methylthio pyridine
    • methylthiopyridine
    • 2-METHYLMERCAPTO-PYRIDINE
    • pyridine, 2-methylthio-
    • 2-methylsulfanyl-pyridine
    • 2-(Methylsulfanyl)pyridine #
    • SCHEMBL354087
    • SCHEMBL798143
    • 2-METHYLMERCAPTOPYRIDINE
    • SCHEMBL1036554
    • SCHEMBL1555607
    • SCHEMBL2186562
    • SCHEMBL2562069
    • SCHEMBL29364925
    • AKOS006230363
    • SB52377
    • AS-40366
    • SY015557
    • DB-021401
    • M1849
    • 2-(Methylthio)pyridine, >=95.0% (HPLC)
    • AC-907/34117043
    • F470749
    • Q63395430
    • 18438-38-5

  • Applications

    Pyridine, 2-(methylthio)- is a versatile building block in organic synthesis. Real-world applications primarily focus on pharmaceutical and agrochemical development, providing a route to heteroaromatic compounds and potential active ingredients. It is also used in chemical research as a starting material to generate sulfur-containing pyridine derivatives and other heterocycles, supporting drug discovery and intermediate-chemistry optimization. Additionally, the compound can serve as a precursor for specialty catalysts and materials, including sulfur-containing pyridine ligands and related polymers or coatings formulations. In some cases it may be used where a pyridine-type backbone is desired in advanced materials or electronics research, with usage governed by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1118.04
    methanol 1421.25
    isopropanol 694.0
    water 6.45
    ethyl acetate 1364.6
    n-propanol 821.86
    acetone 2362.29
    n-butanol 717.7
    acetonitrile 1749.87
    DMF 2232.9
    toluene 1082.78
    isobutanol 568.8
    1,4-dioxane 2882.67
    methyl acetate 1204.24
    THF 2411.19
    2-butanone 1482.28
    n-pentanol 574.18
    sec-butanol 609.88
    n-hexane 157.89
    ethylene glycol 243.92
    NMP 2464.16
    cyclohexane 268.74
    DMSO 3071.38
    n-butyl acetate 1239.15
    n-octanol 350.99
    chloroform 4182.56
    n-propyl acetate 996.24
    acetic acid 1274.25
    dichloromethane 4277.25
    cyclohexanone 2448.43
    propylene glycol 233.99
    isopropyl acetate 664.77
    DMAc 1426.5
    2-ethoxyethanol 967.26
    isopentanol 580.76
    n-heptane 173.65
    ethyl formate 1098.99
    1,2-dichloroethane 2404.26
    n-hexanol 578.5
    2-methoxyethanol 1409.64
    isobutyl acetate 585.19
    tetrachloromethane 1031.4
    n-pentyl acetate 685.23
    transcutol 2286.87
    n-heptanol 332.32
    ethylbenzene 353.26
    MIBK 614.49
    2-propoxyethanol 981.74
    tert-butanol 718.33
    MTBE 804.55
    2-butoxyethanol 606.42
    propionic acid 863.13
    o-xylene 457.34
    formic acid 425.69
    diethyl ether 1264.44
    m-xylene 493.07
    p-xylene 454.82
    chlorobenzene 1539.49
    dimethyl carbonate 494.29
    n-octane 72.88
    formamide 743.12
    cyclopentanone 2555.64
    2-pentanone 1216.09
    anisole 796.4
    cyclopentyl methyl ether 1237.98
    gamma-butyrolactone 2561.04
    1-methoxy-2-propanol 851.82
    pyridine 2559.04
    3-pentanone 956.05
    furfural 2519.48
    n-dodecane 56.41
    diethylene glycol 663.15
    diisopropyl ether 333.6
    tert-amyl alcohol 598.78
    acetylacetone 1302.72
    n-hexadecane 64.39
    acetophenone 763.27
    methyl propionate 974.29
    isopentyl acetate 792.32
    trichloroethylene 4118.62
    n-nonanol 285.18
    cyclohexanol 755.54
    benzyl alcohol 589.07
    2-ethylhexanol 403.22
    isooctanol 280.37
    dipropyl ether 714.55
    1,2-dichlorobenzene 1207.64
    ethyl lactate 315.66
    propylene carbonate 1215.72
    n-methylformamide 1313.55
    2-pentanol 485.77
    n-pentane 156.69
    1-propoxy-2-propanol 707.13
    1-methoxy-2-propyl acetate 721.45
    2-(2-methoxypropoxy) propanol 436.97
    mesitylene 310.18
    ε-caprolactone 1825.46
    p-cymene 269.58
    epichlorohydrin 2682.23
    1,1,1-trichloroethane 2243.25
    2-aminoethanol 420.33
    morpholine-4-carbaldehyde 2336.73
    sulfolane 2866.04
    2,2,4-trimethylpentane 89.65
    2-methyltetrahydrofuran 1932.55
    n-hexyl acetate 755.71
    isooctane 70.04
    2-(2-butoxyethoxy)ethanol 674.65
    sec-butyl acetate 528.99
    tert-butyl acetate 664.62
    decalin 129.97
    glycerin 366.06
    diglyme 1444.0
    acrylic acid 805.21
    isopropyl myristate 282.75
    n-butyric acid 1193.54
    acetyl acetate 756.86
    di(2-ethylhexyl) phthalate 235.69
    ethyl propionate 687.84
    nitromethane 2655.95
    1,2-diethoxyethane 1137.0
    benzonitrile 1277.99
    trioctyl phosphate 196.12
    1-bromopropane 1393.03
    gamma-valerolactone 2938.23
    n-decanol 214.62
    triethyl phosphate 280.97
    4-methyl-2-pentanol 262.39
    propionitrile 1177.69
    vinylene carbonate 1351.15
    1,1,2-trichlorotrifluoroethane 1419.55
    DMS 539.32
    cumene 241.32
    2-octanol 263.46
    2-hexanone 938.67
    octyl acetate 348.85
    limonene 393.33
    1,2-dimethoxyethane 1612.45
    ethyl orthosilicate 277.77
    tributyl phosphate 252.58
    diacetone alcohol 616.64
    N,N-dimethylaniline 494.77
    acrylonitrile 1452.36
    aniline 988.22
    1,3-propanediol 665.58
    bromobenzene 1737.52
    dibromomethane 2872.91
    1,1,2,2-tetrachloroethane 2803.52
    2-methyl-cyclohexyl acetate 458.11
    tetrabutyl urea 338.42
    diisobutyl methanol 245.37
    2-phenylethanol 562.44
    styrene 551.65
    dioctyl adipate 353.13
    dimethyl sulfate 769.73
    ethyl butyrate 775.68
    methyl lactate 402.65
    butyl lactate 410.47
    diethyl carbonate 465.09
    propanediol butyl ether 498.55
    triethyl orthoformate 439.66
    p-tert-butyltoluene 246.2
    methyl 4-tert-butylbenzoate 480.11
    morpholine 2373.93
    tert-butylamine 461.52
    n-dodecanol 171.82
    dimethoxymethane 1308.81
    ethylene carbonate 1163.78
    cyrene 497.48
    2-ethoxyethyl acetate 792.9
    2-ethylhexyl acetate 680.11
    1,2,4-trichlorobenzene 1291.98
    4-methylpyridine 2439.1
    dibutyl ether 596.39
    2,6-dimethyl-4-heptanol 245.37
    DEF 1426.81
    dimethyl isosorbide 824.94
    tetrachloroethylene 2081.91
    eugenol 526.65
    triacetin 550.78
    span 80 429.66
    1,4-butanediol 331.03
    1,1-dichloroethane 2277.03
    2-methyl-1-pentanol 486.02
    methyl formate 1114.14
    2-methyl-1-butanol 555.06
    n-decane 88.82
    butyronitrile 1318.24
    3,7-dimethyl-1-octanol 311.85
    1-chlorooctane 348.83
    1-chlorotetradecane 140.94
    n-nonane 95.66
    undecane 67.88
    tert-butylcyclohexane 116.52
    cyclooctane 109.1
    cyclopentanol 824.32
    tetrahydropyran 2018.26
    tert-amyl methyl ether 590.19
    2,5,8-trioxanonane 869.56
    1-hexene 456.96
    2-isopropoxyethanol 640.51
    2,2,2-trifluoroethanol 444.53
    methyl butyrate 1041.25

    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