2-((Furan-2-ylmethyl)thio)thiazole

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  • Identifiers

    CAS number
    176981-11-6

    Molecular formula
    C8H7NOS2

    SMILES
    C1=COC(=C1)CSC2=NC=CS2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 74.39%
    Sulfurous 72.5%
    Roasted 71.63%
    Coffee 66.49%
    Nutty 62.49%
    Burnt 53.92%
    Savory 45.68%
    Earthy 45.09%
    Beefy 42.37%
    Mushroom 41.41%

     

    Flavor
    Coffee 67.48%
    Roasted 65.83%
    Sulfury 62.39%
    Meaty 60.25%
    Nutty 53.94%
    Vegetable 44.03%
    Roast 41.46%
    Onion 38.6%
    Cooked 37.79%
    Earthy 33.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    3.65 (weak acid)

    Molecular weight
    197.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 129.9 ˚C est.

  • Synonyms

    • 176981-11-6
    • 2-Furfurylthio thiazole
    • 2-((Furan-2-ylmethyl)thio)thiazole
    • 2-Furfuryl thiothiazole
    • Thiazole, 2-[(2-furanylmethyl)thio]-
    • 2-(furan-2-ylmethylsulfanyl)-1,3-thiazole
    • 2-{[(Furan-2-yl)methyl]sulfanyl}-1,3-thiazole
    • 2-furfurylthiothiazole
    • DTXSID00654365
    • 2-(2-furylmethylsulfanyl)thiazole
    • AKOS006242105
    • FS-1215
    • SB61526
    • DB-065174
    • F009623
    • 176981-11-6

  • Applications

    2-((Furan-2-ylmethyl)thio)thiazole (CAS 176981-11-6) is primarily used as an intermediate in organic synthesis and is of interest across several specialty sectors. In perfumery and cosmetics it may serve as a fragrance precursor or odor-active building block for scent formulations. In pharmaceuticals it is explored as a synthetic intermediate for heterocyclic drug candidates. In agriculture it is evaluated as an intermediate for agrochemical development. In industrial manufacturing it functions as a building block for specialty chemicals and functional materials, including exploratory work in polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.99
    methanol 141.06
    isopropanol 69.03
    water 0.66
    ethyl acetate 183.34
    n-propanol 88.52
    acetone 254.17
    n-butanol 83.65
    acetonitrile 183.78
    DMF 508.11
    toluene 148.21
    isobutanol 74.01
    1,4-dioxane 843.79
    methyl acetate 245.68
    THF 510.88
    2-butanone 249.49
    n-pentanol 87.97
    sec-butanol 74.26
    n-hexane 3.43
    ethylene glycol 76.83
    NMP 350.25
    cyclohexane 17.28
    DMSO 633.63
    n-butyl acetate 94.15
    n-octanol 41.04
    chloroform 426.54
    n-propyl acetate 120.97
    acetic acid 146.89
    dichloromethane 461.37
    cyclohexanone 291.19
    propylene glycol 67.08
    isopropyl acetate 95.74
    DMAc 766.94
    2-ethoxyethanol 340.29
    isopentanol 82.85
    n-heptane 7.33
    ethyl formate 127.23
    1,2-dichloroethane 270.27
    n-hexanol 54.95
    2-methoxyethanol 422.63
    isobutyl acetate 87.22
    tetrachloromethane 33.14
    n-pentyl acetate 66.32
    transcutol 974.65
    n-heptanol 33.78
    ethylbenzene 53.71
    MIBK 101.46
    2-propoxyethanol 198.75
    tert-butanol 92.05
    MTBE 120.6
    2-butoxyethanol 115.98
    propionic acid 90.91
    o-xylene 81.62
    formic acid 77.48
    diethyl ether 146.31
    m-xylene 65.02
    p-xylene 73.74
    chlorobenzene 164.68
    dimethyl carbonate 122.13
    n-octane 3.26
    formamide 169.64
    cyclopentanone 274.46
    2-pentanone 153.53
    anisole 216.98
    cyclopentyl methyl ether 196.32
    gamma-butyrolactone 268.14
    1-methoxy-2-propanol 248.85
    pyridine 549.78
    3-pentanone 163.3
    furfural 403.84
    n-dodecane 4.82
    diethylene glycol 229.5
    diisopropyl ether 36.53
    tert-amyl alcohol 89.42
    acetylacetone 243.71
    n-hexadecane 5.68
    acetophenone 201.79
    methyl propionate 168.41
    isopentyl acetate 97.89
    trichloroethylene 532.95
    n-nonanol 42.14
    cyclohexanol 119.24
    benzyl alcohol 175.57
    2-ethylhexanol 50.59
    isooctanol 33.15
    dipropyl ether 74.46
    1,2-dichlorobenzene 139.11
    ethyl lactate 70.82
    propylene carbonate 146.47
    n-methylformamide 179.79
    2-pentanol 53.2
    n-pentane 4.85
    1-propoxy-2-propanol 124.4
    1-methoxy-2-propyl acetate 160.3
    2-(2-methoxypropoxy) propanol 184.96
    mesitylene 37.62
    ε-caprolactone 229.54
    p-cymene 37.17
    epichlorohydrin 480.55
    1,1,1-trichloroethane 162.28
    2-aminoethanol 105.01
    morpholine-4-carbaldehyde 704.44
    sulfolane 317.17
    2,2,4-trimethylpentane 6.1
    2-methyltetrahydrofuran 287.93
    n-hexyl acetate 84.43
    isooctane 3.5
    2-(2-butoxyethoxy)ethanol 259.14
    sec-butyl acetate 86.66
    tert-butyl acetate 100.54
    decalin 11.62
    glycerin 144.12
    diglyme 517.59
    acrylic acid 105.14
    isopropyl myristate 47.16
    n-butyric acid 104.28
    acetyl acetate 129.93
    di(2-ethylhexyl) phthalate 57.71
    ethyl propionate 107.6
    nitromethane 351.17
    1,2-diethoxyethane 271.68
    benzonitrile 184.74
    trioctyl phosphate 31.88
    1-bromopropane 95.45
    gamma-valerolactone 519.22
    n-decanol 34.33
    triethyl phosphate 58.67
    4-methyl-2-pentanol 37.52
    propionitrile 121.82
    vinylene carbonate 171.28
    1,1,2-trichlorotrifluoroethane 356.09
    DMS 126.27
    cumene 36.14
    2-octanol 25.27
    2-hexanone 130.34
    octyl acetate 56.13
    limonene 55.95
    1,2-dimethoxyethane 580.05
    ethyl orthosilicate 57.28
    tributyl phosphate 44.64
    diacetone alcohol 133.84
    N,N-dimethylaniline 144.87
    acrylonitrile 183.47
    aniline 207.69
    1,3-propanediol 143.65
    bromobenzene 174.01
    dibromomethane 209.06
    1,1,2,2-tetrachloroethane 373.8
    2-methyl-cyclohexyl acetate 89.5
    tetrabutyl urea 77.38
    diisobutyl methanol 32.41
    2-phenylethanol 113.46
    styrene 88.37
    dioctyl adipate 81.12
    dimethyl sulfate 198.34
    ethyl butyrate 90.26
    methyl lactate 106.13
    butyl lactate 63.19
    diethyl carbonate 68.5
    propanediol butyl ether 119.03
    triethyl orthoformate 80.55
    p-tert-butyltoluene 34.34
    methyl 4-tert-butylbenzoate 113.12
    morpholine 715.53
    tert-butylamine 51.4
    n-dodecanol 29.26
    dimethoxymethane 397.66
    ethylene carbonate 143.94
    cyrene 197.09
    2-ethoxyethyl acetate 158.17
    2-ethylhexyl acetate 84.09
    1,2,4-trichlorobenzene 195.75
    4-methylpyridine 349.18
    dibutyl ether 76.56
    2,6-dimethyl-4-heptanol 32.41
    DEF 267.4
    dimethyl isosorbide 264.82
    tetrachloroethylene 223.91
    eugenol 134.26
    triacetin 147.05
    span 80 113.23
    1,4-butanediol 84.51
    1,1-dichloroethane 178.13
    2-methyl-1-pentanol 89.45
    methyl formate 149.06
    2-methyl-1-butanol 81.27
    n-decane 6.29
    butyronitrile 108.59
    3,7-dimethyl-1-octanol 50.13
    1-chlorooctane 29.0
    1-chlorotetradecane 17.56
    n-nonane 4.87
    undecane 5.33
    tert-butylcyclohexane 8.2
    cyclooctane 6.01
    cyclopentanol 109.48
    tetrahydropyran 380.58
    tert-amyl methyl ether 110.65
    2,5,8-trioxanonane 394.37
    1-hexene 20.52
    2-isopropoxyethanol 200.81
    2,2,2-trifluoroethanol 70.27
    methyl butyrate 134.68

    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