2-(Methylthio)thiazole

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  • Identifiers

    CAS number
    5053-24-7

    Molecular formula
    C4H5NS2

    SMILES
    CSC1=NC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 67.5%
    Meaty 59.16%
    Roasted 58.26%
    Nutty 56.43%
    Vegetable 50.78%
    Coffee 44.24%
    Burnt 43.59%
    Alliaceous 43.15%
    Onion 43.04%
    Savory 37.79%

     

    Flavor
    Nutty 61.01%
    Green 53.26%
    Vegetable 47.98%
    Roasted 47.42%
    Meaty 42.57%
    Sulfury 38.84%
    Coffee 37.98%
    Sulfur 37.55%
    Tomato 33.55%
    Onion 33.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.56 (weak acid)

    Molecular weight
    131.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 82.8 ˚C est.

  • Synonyms

    • 2-(Methylthio)thiazole
    • 5053-24-7
    • DTXSID60375024
    • RefChem:254391
    • DTXCID40326054
    • 627-589-2
    • 2-Methylthiothiazole
    • 2-(methylsulfanyl)-1,3-thiazole
    • 2-methylsulfanyl-1,3-thiazole
    • Thiazole, 2-(methylthio)-
    • MFCD00858981
    • 2-Methylthio-1,3-thiazole
    • 2-methylsulfanylthiazole
    • thiazole, 2-methylthio-
    • 2-methylsulfanyl-thiazole
    • 2-Methylthiothiazole, 97%
    • SCHEMBL496215
    • SCHEMBL3069276
    • SCHEMBL3828737
    • SCHEMBL4072379
    • AKOS006223218
    • GS-6827
    • CS-0127990
    • M1712
    • H10071
    • EN300-6947137
    • F009622
    • 5053-24-7

  • Applications

    2-(Methylthio)thiazole (CAS 5053-24-7) is primarily used as an odorant in fragrance systems and may contribute sulfurous notes in perfumes and personal care products; it is also evaluated as an aroma/flavor ingredient for certain food and beverage applications under applicable regulations. In household and cleaning products, it may serve as an odorant/fragrance component to improve product odor; in industrial manufacturing and polymer science, it can act as a building block or intermediate in the synthesis of other heterocyclic compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 255.67
    methanol 328.74
    isopropanol 154.52
    water 4.07
    ethyl acetate 289.5
    n-propanol 184.78
    acetone 534.23
    n-butanol 189.4
    acetonitrile 267.49
    DMF 979.11
    toluene 242.96
    isobutanol 138.44
    1,4-dioxane 680.78
    methyl acetate 296.58
    THF 854.63
    2-butanone 344.02
    n-pentanol 173.4
    sec-butanol 132.37
    n-hexane 33.65
    ethylene glycol 88.42
    NMP 935.13
    cyclohexane 64.73
    DMSO 942.03
    n-butyl acetate 284.97
    n-octanol 94.06
    chloroform 830.56
    n-propyl acetate 234.09
    acetic acid 332.67
    dichloromethane 839.18
    cyclohexanone 598.62
    propylene glycol 69.69
    isopropyl acetate 198.73
    DMAc 606.64
    2-ethoxyethanol 364.85
    isopentanol 164.89
    n-heptane 47.7
    ethyl formate 288.41
    1,2-dichloroethane 488.94
    n-hexanol 156.25
    2-methoxyethanol 513.36
    isobutyl acetate 168.23
    tetrachloromethane 205.83
    n-pentyl acetate 206.93
    transcutol 805.8
    n-heptanol 100.51
    ethylbenzene 109.32
    MIBK 221.38
    2-propoxyethanol 363.08
    tert-butanol 184.52
    MTBE 202.64
    2-butoxyethanol 220.02
    propionic acid 176.13
    o-xylene 146.5
    formic acid 184.03
    diethyl ether 277.14
    m-xylene 161.94
    p-xylene 143.45
    chlorobenzene 394.23
    dimethyl carbonate 191.89
    n-octane 21.49
    formamide 291.86
    cyclopentanone 724.22
    2-pentanone 326.4
    anisole 322.8
    cyclopentyl methyl ether 390.03
    gamma-butyrolactone 679.34
    1-methoxy-2-propanol 324.35
    pyridine 600.64
    3-pentanone 256.49
    furfural 916.99
    n-dodecane 18.27
    diethylene glycol 298.47
    diisopropyl ether 104.03
    tert-amyl alcohol 152.72
    acetylacetone 470.49
    n-hexadecane 21.05
    acetophenone 317.33
    methyl propionate 251.51
    isopentyl acetate 248.87
    trichloroethylene 931.05
    n-nonanol 92.7
    cyclohexanol 185.76
    benzyl alcohol 240.32
    2-ethylhexanol 127.87
    isooctanol 88.43
    dipropyl ether 211.3
    1,2-dichlorobenzene 371.97
    ethyl lactate 119.06
    propylene carbonate 349.98
    n-methylformamide 406.78
    2-pentanol 123.28
    n-pentane 39.94
    1-propoxy-2-propanol 254.87
    1-methoxy-2-propyl acetate 301.73
    2-(2-methoxypropoxy) propanol 236.36
    mesitylene 115.55
    ε-caprolactone 445.32
    p-cymene 103.13
    epichlorohydrin 722.97
    1,1,1-trichloroethane 471.02
    2-aminoethanol 139.26
    morpholine-4-carbaldehyde 968.41
    sulfolane 858.58
    2,2,4-trimethylpentane 25.49
    2-methyltetrahydrofuran 512.03
    n-hexyl acetate 220.24
    isooctane 23.21
    2-(2-butoxyethoxy)ethanol 315.59
    sec-butyl acetate 157.86
    tert-butyl acetate 240.62
    decalin 41.63
    glycerin 138.52
    diglyme 622.31
    acrylic acid 196.25
    isopropyl myristate 118.71
    n-butyric acid 261.23
    acetyl acetate 229.16
    di(2-ethylhexyl) phthalate 122.66
    ethyl propionate 188.72
    nitromethane 692.12
    1,2-diethoxyethane 402.08
    benzonitrile 360.53
    trioctyl phosphate 87.91
    1-bromopropane 253.18
    gamma-valerolactone 1013.9
    n-decanol 76.83
    triethyl phosphate 133.06
    4-methyl-2-pentanol 91.92
    propionitrile 207.28
    vinylene carbonate 415.96
    1,1,2-trichlorotrifluoroethane 489.9
    DMS 211.89
    cumene 88.46
    2-octanol 77.67
    2-hexanone 249.57
    octyl acetate 135.58
    limonene 148.33
    1,2-dimethoxyethane 625.39
    ethyl orthosilicate 132.84
    tributyl phosphate 113.17
    diacetone alcohol 244.79
    N,N-dimethylaniline 230.96
    acrylonitrile 288.31
    aniline 268.13
    1,3-propanediol 219.63
    bromobenzene 422.54
    dibromomethane 514.97
    1,1,2,2-tetrachloroethane 610.7
    2-methyl-cyclohexyl acetate 200.73
    tetrabutyl urea 161.3
    diisobutyl methanol 97.23
    2-phenylethanol 233.34
    styrene 169.56
    dioctyl adipate 164.17
    dimethyl sulfate 340.55
    ethyl butyrate 231.19
    methyl lactate 148.48
    butyl lactate 148.25
    diethyl carbonate 161.98
    propanediol butyl ether 172.52
    triethyl orthoformate 178.48
    p-tert-butyltoluene 101.47
    methyl 4-tert-butylbenzoate 232.59
    morpholine 599.1
    tert-butylamine 125.89
    n-dodecanol 66.33
    dimethoxymethane 561.46
    ethylene carbonate 330.83
    cyrene 312.1
    2-ethoxyethyl acetate 306.74
    2-ethylhexyl acetate 211.5
    1,2,4-trichlorobenzene 425.86
    4-methylpyridine 565.28
    dibutyl ether 166.86
    2,6-dimethyl-4-heptanol 97.23
    DEF 413.49
    dimethyl isosorbide 475.14
    tetrachloroethylene 447.02
    eugenol 274.94
    triacetin 239.22
    span 80 212.57
    1,4-butanediol 117.76
    1,1-dichloroethane 414.38
    2-methyl-1-pentanol 155.93
    methyl formate 374.24
    2-methyl-1-butanol 144.53
    n-decane 26.5
    butyronitrile 250.82
    3,7-dimethyl-1-octanol 106.44
    1-chlorooctane 87.41
    1-chlorotetradecane 49.74
    n-nonane 25.39
    undecane 21.17
    tert-butylcyclohexane 38.12
    cyclooctane 29.72
    cyclopentanol 216.93
    tetrahydropyran 464.25
    tert-amyl methyl ether 174.5
    2,5,8-trioxanonane 474.82
    1-hexene 96.03
    2-isopropoxyethanol 254.94
    2,2,2-trifluoroethanol 163.39
    methyl butyrate 251.24

    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