4-Thiazoline-2-thiol, 4-ethyl-

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  • Identifiers

    CAS number
    69226-05-7

    Molecular formula
    C5H9NS2

    SMILES
    CCC1=CSC(N1)S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 74.91%
    Roasted 74.31%
    Nutty 54.01%
    Cooked 44.79%
    Sulfurous 41.48%
    Beefy 39.15%
    Savory 37.7%
    Popcorn 31.49%
    Onion 30.65%
    Burnt 26.12%

     

    Flavor
    Roasted 48.52%
    Sulfurous 39.22%
    Meaty 31.33%
    Cooked 24.69%
    Alliaceous 22.58%
    Onion 22.33%
    Bouillon 22.29%
    Chicken 21.93%
    Taco 21.87%
    Shrimp 21.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.59 (weak acid)

    Molecular weight
    147.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 101.56 ˚C est.

  • Synonyms

    • 4-Thiazoline-2-thiol, 4-ethyl-
    • 69226-05-7
    • RefChem:1071717
    • 2-Mercapto-4-ethylthiazoline
    • 2-Thiazolethiol, 2,3-dihydro-4-ethyl-
    • 4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
    • SCHEMBL3505049
    • DTXSID80873451
    • 69226-05-7

  • Applications

    4-Thiazoline-2-thiol, 4-ethyl- is primarily used as an organic synthesis intermediate for constructing substituted thiazoline motifs, supporting medicinal and agrochemical lead development. It serves as a versatile building block for heterocyclic compounds in chemical libraries. Due to its thiol and heteroatom content, it can act as a ligand or chelating agent in coordination chemistry and in some metal-catalyzed transformations. The compound is also evaluated as a precursor or functional component in polymers and materials chemistry, enabling functionalization or crosslinking of advanced materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.91
    methanol 249.25
    isopropanol 115.63
    water 4.26
    ethyl acetate 114.1
    n-propanol 125.14
    acetone 343.33
    n-butanol 115.52
    acetonitrile 147.91
    DMF 518.92
    toluene 59.45
    isobutanol 93.48
    1,4-dioxane 300.39
    methyl acetate 140.89
    THF 457.29
    2-butanone 205.21
    n-pentanol 101.13
    sec-butanol 94.23
    n-hexane 4.89
    ethylene glycol 107.57
    NMP 385.74
    cyclohexane 6.5
    DMSO 708.81
    n-butyl acetate 100.1
    n-octanol 79.13
    chloroform 295.48
    n-propyl acetate 88.73
    acetic acid 187.8
    dichloromethane 241.84
    cyclohexanone 246.75
    propylene glycol 124.44
    isopropyl acetate 85.38
    DMAc 375.0
    2-ethoxyethanol 209.84
    isopentanol 97.54
    n-heptane 9.47
    ethyl formate 101.55
    1,2-dichloroethane 138.08
    n-hexanol 114.29
    2-methoxyethanol 332.04
    isobutyl acetate 79.43
    tetrachloromethane 52.14
    n-pentyl acetate 93.46
    transcutol 366.95
    n-heptanol 80.97
    ethylbenzene 27.8
    MIBK 112.98
    2-propoxyethanol 257.3
    tert-butanol 123.87
    MTBE 100.42
    2-butoxyethanol 167.31
    propionic acid 115.99
    o-xylene 42.67
    formic acid 95.88
    diethyl ether 92.05
    m-xylene 48.17
    p-xylene 41.59
    chlorobenzene 113.11
    dimethyl carbonate 87.32
    n-octane 5.95
    formamide 103.48
    cyclopentanone 386.62
    2-pentanone 160.61
    anisole 104.67
    cyclopentyl methyl ether 144.86
    gamma-butyrolactone 318.82
    1-methoxy-2-propanol 254.43
    pyridine 189.87
    3-pentanone 121.44
    furfural 336.54
    n-dodecane 7.81
    diethylene glycol 259.03
    diisopropyl ether 32.75
    tert-amyl alcohol 94.74
    acetylacetone 224.14
    n-hexadecane 8.78
    acetophenone 118.82
    methyl propionate 117.37
    isopentyl acetate 96.35
    trichloroethylene 283.97
    n-nonanol 70.69
    cyclohexanol 90.7
    benzyl alcohol 109.43
    2-ethylhexanol 69.36
    isooctanol 66.47
    dipropyl ether 70.0
    1,2-dichlorobenzene 109.13
    ethyl lactate 75.29
    propylene carbonate 156.78
    n-methylformamide 179.11
    2-pentanol 75.33
    n-pentane 6.42
    1-propoxy-2-propanol 172.03
    1-methoxy-2-propyl acetate 143.19
    2-(2-methoxypropoxy) propanol 142.19
    mesitylene 33.84
    ε-caprolactone 176.55
    p-cymene 34.76
    epichlorohydrin 287.55
    1,1,1-trichloroethane 147.21
    2-aminoethanol 132.76
    morpholine-4-carbaldehyde 389.97
    sulfolane 461.36
    2,2,4-trimethylpentane 7.48
    2-methyltetrahydrofuran 212.47
    n-hexyl acetate 115.68
    isooctane 6.88
    2-(2-butoxyethoxy)ethanol 189.92
    sec-butyl acetate 65.27
    tert-butyl acetate 103.79
    decalin 8.25
    glycerin 205.13
    diglyme 306.63
    acrylic acid 124.79
    isopropyl myristate 56.17
    n-butyric acid 133.2
    acetyl acetate 100.6
    di(2-ethylhexyl) phthalate 70.98
    ethyl propionate 71.43
    nitromethane 310.08
    1,2-diethoxyethane 127.37
    benzonitrile 131.17
    trioctyl phosphate 53.72
    1-bromopropane 76.57
    gamma-valerolactone 396.98
    n-decanol 57.13
    triethyl phosphate 52.06
    4-methyl-2-pentanol 59.76
    propionitrile 99.53
    vinylene carbonate 155.32
    1,1,2-trichlorotrifluoroethane 252.13
    DMS 100.05
    cumene 28.41
    2-octanol 57.35
    2-hexanone 121.45
    octyl acetate 71.68
    limonene 48.58
    1,2-dimethoxyethane 269.97
    ethyl orthosilicate 50.51
    tributyl phosphate 55.54
    diacetone alcohol 143.87
    N,N-dimethylaniline 85.29
    acrylonitrile 128.11
    aniline 103.61
    1,3-propanediol 157.09
    bromobenzene 102.86
    dibromomethane 143.04
    1,1,2,2-tetrachloroethane 228.54
    2-methyl-cyclohexyl acetate 79.74
    tetrabutyl urea 76.66
    diisobutyl methanol 47.39
    2-phenylethanol 114.91
    styrene 39.33
    dioctyl adipate 77.29
    dimethyl sulfate 175.61
    ethyl butyrate 74.28
    methyl lactate 117.46
    butyl lactate 90.79
    diethyl carbonate 55.65
    propanediol butyl ether 176.04
    triethyl orthoformate 65.93
    p-tert-butyltoluene 36.4
    methyl 4-tert-butylbenzoate 118.77
    morpholine 263.59
    tert-butylamine 68.15
    n-dodecanol 46.63
    dimethoxymethane 258.63
    ethylene carbonate 121.52
    cyrene 167.47
    2-ethoxyethyl acetate 137.87
    2-ethylhexyl acetate 80.41
    1,2,4-trichlorobenzene 143.37
    4-methylpyridine 179.65
    dibutyl ether 62.14
    2,6-dimethyl-4-heptanol 47.39
    DEF 153.67
    dimethyl isosorbide 207.2
    tetrachloroethylene 143.64
    eugenol 139.6
    triacetin 127.2
    span 80 134.25
    1,4-butanediol 101.11
    1,1-dichloroethane 146.89
    2-methyl-1-pentanol 84.69
    methyl formate 163.43
    2-methyl-1-butanol 89.65
    n-decane 11.06
    butyronitrile 112.39
    3,7-dimethyl-1-octanol 69.46
    1-chlorooctane 46.54
    1-chlorotetradecane 23.26
    n-nonane 9.57
    undecane 9.08
    tert-butylcyclohexane 9.6
    cyclooctane 3.65
    cyclopentanol 128.02
    tetrahydropyran 169.03
    tert-amyl methyl ether 77.55
    2,5,8-trioxanonane 238.44
    1-hexene 24.17
    2-isopropoxyethanol 150.49
    2,2,2-trifluoroethanol 92.48
    methyl butyrate 94.64

    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