N-(2-mercaptoethyl)-1,3-thiazolidine

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  • Identifiers

    CAS number
    317803-03-5

    Molecular formula
    C5H11NS2

    SMILES
    C1CSCN1CCS

  • Odor profile

    Fragrance
    Meaty 60.24%
    Fishy 52.47%
    Nutty 46.79%
    Roasted 46.05%
    Cooked 38.06%
    Sulfurous 36.77%
    Popcorn 35.03%
    Savory 31.81%
    Beefy 29.03%
    Cheesy 25.79%

     

    Flavor
    Roasted 49.71%
    Sulfurous 45.88%
    Meaty 39.54%
    Sulfury 34.22%
    Onion 28.39%
    Cooked 26.9%
    Chicken 26.61%
    Alliaceous 25.96%
    Fishy 24.64%
    Bouillon 23.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.48 (weak acid)

    Molecular weight
    149.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 94.43 ˚C est.

  • Synonyms

    • N-(2-mercaptoethyl)-1,3-thiazolidine
    • 317803-03-5
    • 2-Thiazolidin-3-ylethanethiol
    • 2-(1,3-thiazolidin-3-yl)ethanethiol
    • 2-(1,3-thiazolidin-3-yl)ethane-1-thiol
    • DTXSID00392679
    • 3-Thiazolidineethanethiol
    • MFCD04037372
    • 3-Thiazolidin-ethanthiol
    • SCHEMBL7063081
    • DTXCID00343540
    • AKOS006280087
    • EN300-314914

  • Applications

    N-(2-mercaptoethyl)-1,3-thiazolidine (CAS 317803-03-5) is primarily employed as an intermediate in organic synthesis and as a thiol-containing building block for further functionalization. In polymer, coating, and adhesive chemistries, it can serve as a functionalizing or crosslinking agent via thiol-ene or other thiol/amine reactions. It also acts as a metal chelating agent in industrial formulations, helping stabilize metal ions and formulations, and may function as a corrosion inhibitor in coatings or metalworking fluids by binding metal surfaces. The thiol and heterocyclic motifs allow it to act as a ligand or precursor for metal complexes in catalysis and electronic materials. Additionally, it is sometimes evaluated as a pharmaceutical synthesis intermediate, serving as a versatile building block in the preparation of more complex compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 438.36
    methanol 863.57
    isopropanol 232.59
    water 100.53
    ethyl acetate 152.46
    n-propanol 310.36
    acetone 436.13
    n-butanol 221.1
    acetonitrile 287.1
    DMF 556.76
    toluene 63.96
    isobutanol 198.2
    1,4-dioxane 386.37
    methyl acetate 225.56
    THF 458.19
    2-butanone 255.0
    n-pentanol 152.33
    sec-butanol 186.85
    n-hexane 7.5
    ethylene glycol 437.49
    NMP 496.1
    cyclohexane 19.06
    DMSO 891.37
    n-butyl acetate 136.52
    n-octanol 84.48
    chloroform 691.53
    n-propyl acetate 120.22
    acetic acid 846.04
    dichloromethane 502.99
    cyclohexanone 373.35
    propylene glycol 327.48
    isopropyl acetate 83.42
    DMAc 394.48
    2-ethoxyethanol 351.79
    isopentanol 144.83
    n-heptane 16.29
    ethyl formate 180.01
    1,2-dichloroethane 259.79
    n-hexanol 160.24
    2-methoxyethanol 575.22
    isobutyl acetate 88.06
    tetrachloromethane 144.51
    n-pentyl acetate 98.08
    transcutol 532.85
    n-heptanol 106.59
    ethylbenzene 24.9
    MIBK 93.7
    2-propoxyethanol 344.85
    tert-butanol 186.41
    MTBE 90.57
    2-butoxyethanol 231.18
    propionic acid 395.09
    o-xylene 46.8
    formic acid 704.28
    diethyl ether 103.18
    m-xylene 51.07
    p-xylene 39.65
    chlorobenzene 136.72
    dimethyl carbonate 82.22
    n-octane 6.37
    formamide 522.61
    cyclopentanone 461.89
    2-pentanone 167.7
    anisole 90.01
    cyclopentyl methyl ether 183.65
    gamma-butyrolactone 468.72
    1-methoxy-2-propanol 331.19
    pyridine 310.14
    3-pentanone 136.01
    furfural 549.37
    n-dodecane 6.2
    diethylene glycol 438.89
    diisopropyl ether 29.33
    tert-amyl alcohol 141.64
    acetylacetone 194.16
    n-hexadecane 6.85
    acetophenone 126.86
    methyl propionate 153.56
    isopentyl acetate 105.73
    trichloroethylene 556.63
    n-nonanol 71.85
    cyclohexanol 193.34
    benzyl alcohol 142.38
    2-ethylhexanol 89.22
    isooctanol 81.98
    dipropyl ether 89.13
    1,2-dichlorobenzene 133.16
    ethyl lactate 105.96
    propylene carbonate 221.52
    n-methylformamide 418.97
    2-pentanol 113.24
    n-pentane 11.63
    1-propoxy-2-propanol 225.75
    1-methoxy-2-propyl acetate 139.07
    2-(2-methoxypropoxy) propanol 155.96
    mesitylene 32.53
    ε-caprolactone 260.07
    p-cymene 39.36
    epichlorohydrin 400.93
    1,1,1-trichloroethane 232.59
    2-aminoethanol 461.13
    morpholine-4-carbaldehyde 488.9
    sulfolane 554.76
    2,2,4-trimethylpentane 8.47
    2-methyltetrahydrofuran 265.9
    n-hexyl acetate 112.12
    isooctane 6.51
    2-(2-butoxyethoxy)ethanol 210.21
    sec-butyl acetate 66.42
    tert-butyl acetate 81.53
    decalin 9.17
    glycerin 529.28
    diglyme 396.42
    acrylic acid 467.18
    isopropyl myristate 43.57
    n-butyric acid 307.91
    acetyl acetate 122.23
    di(2-ethylhexyl) phthalate 68.16
    ethyl propionate 84.36
    nitromethane 749.95
    1,2-diethoxyethane 137.93
    benzonitrile 168.75
    trioctyl phosphate 51.3
    1-bromopropane 117.85
    gamma-valerolactone 535.91
    n-decanol 53.56
    triethyl phosphate 57.89
    4-methyl-2-pentanol 62.67
    propionitrile 188.44
    vinylene carbonate 251.12
    1,1,2-trichlorotrifluoroethane 520.93
    DMS 92.84
    cumene 24.47
    2-octanol 59.99
    2-hexanone 124.37
    octyl acetate 63.86
    limonene 56.17
    1,2-dimethoxyethane 306.92
    ethyl orthosilicate 55.64
    tributyl phosphate 53.63
    diacetone alcohol 144.22
    N,N-dimethylaniline 72.39
    acrylonitrile 276.34
    aniline 169.72
    1,3-propanediol 394.03
    bromobenzene 113.95
    dibromomethane 309.82
    1,1,2,2-tetrachloroethane 425.08
    2-methyl-cyclohexyl acetate 92.34
    tetrabutyl urea 73.39
    diisobutyl methanol 48.19
    2-phenylethanol 133.1
    styrene 34.96
    dioctyl adipate 75.89
    dimethyl sulfate 165.66
    ethyl butyrate 96.81
    methyl lactate 162.48
    butyl lactate 109.8
    diethyl carbonate 63.28
    propanediol butyl ether 207.65
    triethyl orthoformate 77.06
    p-tert-butyltoluene 38.27
    methyl 4-tert-butylbenzoate 125.96
    morpholine 398.64
    tert-butylamine 100.68
    n-dodecanol 41.92
    dimethoxymethane 236.77
    ethylene carbonate 189.89
    cyrene 189.63
    2-ethoxyethyl acetate 141.19
    2-ethylhexyl acetate 88.91
    1,2,4-trichlorobenzene 183.77
    4-methylpyridine 226.38
    dibutyl ether 56.36
    2,6-dimethyl-4-heptanol 48.19
    DEF 194.42
    dimethyl isosorbide 201.63
    tetrachloroethylene 333.73
    eugenol 150.95
    triacetin 138.65
    span 80 154.73
    1,4-butanediol 215.41
    1,1-dichloroethane 249.5
    2-methyl-1-pentanol 109.42
    methyl formate 302.08
    2-methyl-1-butanol 151.26
    n-decane 9.56
    butyronitrile 165.75
    3,7-dimethyl-1-octanol 68.28
    1-chlorooctane 40.64
    1-chlorotetradecane 17.2
    n-nonane 8.93
    undecane 7.37
    tert-butylcyclohexane 9.52
    cyclooctane 7.12
    cyclopentanol 265.23
    tetrahydropyran 237.75
    tert-amyl methyl ether 73.14
    2,5,8-trioxanonane 279.54
    1-hexene 27.44
    2-isopropoxyethanol 211.97
    2,2,2-trifluoroethanol 392.22
    methyl butyrate 118.39

    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