2-Thiazolidinethione

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  • Identifiers

    CAS number
    96-53-7

    Molecular formula
    C3H5NS2

    SMILES
    C1CSC(=S)N1

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Meaty 51.12%
    Sulfurous 47.76%
    Roasted 47.28%
    Cooked 36.53%
    Garlic 35.05%
    Nutty 34.23%
    Onion 32.02%
    Pungent 30.36%
    Burnt 29.01%
    Savory 28.43%

     

    Flavor
    Roasted 43.15%
    Bitter 33.26%
    Sulfur 31.52%
    Cooked 30.21%
    Nutty 26.83%
    Meaty 25.37%
    Alliaceous 24.96%
    Taco 23.78%
    Garlic 22.96%
    Shrimp 22.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.35 (neutral)

    Molecular weight
    119.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 92.81 ˚C est.

  • Synonyms

    • 2-Mercaptothiazoline
    • 96-53-7
    • 1,3-Thiazolidine-2-thione
    • 2-Thiazolidinethione
    • 2-Mercapto-2-thiazoline
    • Metabasal
    • Thyroidan
    • 2-Thiothiazolidone
    • Mercaptothiazoline
    • Sancelent 2MT
    • 4,5-Dihydro-2-mercaptothiazole
    • Tetrahydrothiazole-2-thione
    • 2(3H)-Thiazolethione, 4,5-dihydro-
    • WR 305
    • UPA7Y8938Q
    • NSC-680
    • DTXSID3059133
    • RefChem:474048
    • DTXCID4048983
    • 202-512-1
    • 2-Thiazoline-2-thiol
    • Thiazolidine-2-thione
    • 4,5-dihydrothiazole-2-thiol
    • 2-Thiazolidenethione
    • 2-Thiozolidinethione
    • 4,5-Dihydro-1,3-thiazole-2-thiol
    • Thiazoline-2-thiol
    • NSC 680
    • 2-Mercapto-.DELTA.2-thiazoline
    • MFCD00126013
    • 134469-06-0
    • NSC680
    • 1,3-thiazoline-2-thiol
    • 1,3-Thiazolidin-2-thione; 1,3-Thiazolidine-2-thione
    • Dihydro-2-thiazolethiol
    • Dihydrothiazole-2-thiol
    • EINECS 202-512-1
    • 2-Thiazolethiol, dihydro-
    • C3H5NS2
    • AI3-00986
    • 2-mercapto-4,5-dihydro-thiazole
    • USAF A-10211
    • mercapto-thiazoline
    • EINECS 246-918-7
    • Thiazolidin-2-thione
    • 2-thiazolidine thione
    • Tebipenem Impurity 10
    • 2-mercapto-1,3-thiazoline
    • UNII-UPA7Y8938Q
    • SCHEMBL34679
    • SCHEMBL34680
    • THIAZOLIDINE,2-THIONE
    • 25377-76-8
    • SCHEMBL101652
    • WLN: T5M CS BHJ BSH
    • 2-Thiazoline-2-thiol, 98%
    • 4,5-Dihydro-thiazole-2-thiol
    • SCHEMBL1628000
    • SCHEMBL1672134
    • SCHEMBL2124298
    • CHEMBL2398099
    • SCHEMBL17102937
    • 4,5-dihydro-2-mercapto-thiazole
    • 2(3H)-Thiazolethione,5-dihydro-
    • BB_SC-06486
    • .DELTA.2-THIAZOLINE-2-THIOL
    • BBL027511
    • MFCD00005311
    • SBB004290
    • STL264201
    • AKOS000119225
    • AKOS003622202
    • AKOS025243618
    • FM40923
    • 4,5-Dihydro-1,3-thiazole-2-thiol #
    • SY353155
    • VS-08557
    • 2-Thiazoline-2-thiol,2-Mercaptothiazoline
    • DB-222217
    • CS-0008464
    • M0065
    • NS00021409
    • ST45028092
    • EN300-21459
    • E77124
    • A845606
    • F038194
    • F0001-2300
    • InChI=1/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5
    • 96-53-7

  • Applications

    2-Thiazolidinethione (CAS 96-53-7) is a versatile building block in organic synthesis, commonly used as a precursor to thiazolidinone derivatives and other sulfur-containing heterocycles, and is widely evaluated in pharmaceutical and agrochemical R&D. It also serves as an intermediate for the preparation of ligands and sulfur-containing compounds used in catalysis and in materials processing. In polymer and materials chemistry, it is employed as a functional building block for specific monomers and as a precursor for dye and pigment chemistries. It may also serve as a sulfur-containing ligand or stabilizing additive in certain formulations; however its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.75
    methanol 191.23
    isopropanol 65.77
    water 7.36
    ethyl acetate 112.55
    n-propanol 69.41
    acetone 403.89
    n-butanol 63.22
    acetonitrile 162.74
    DMF 1196.45
    toluene 44.75
    isobutanol 50.04
    1,4-dioxane 328.87
    methyl acetate 153.63
    THF 362.27
    2-butanone 193.93
    n-pentanol 49.33
    sec-butanol 49.64
    n-hexane 0.47
    ethylene glycol 112.79
    NMP 632.1
    cyclohexane 3.13
    DMSO 1170.52
    n-butyl acetate 68.82
    n-octanol 36.59
    chloroform 187.13
    n-propyl acetate 65.04
    acetic acid 229.45
    dichloromethane 139.25
    cyclohexanone 261.7
    propylene glycol 94.34
    isopropyl acetate 70.49
    DMAc 705.83
    2-ethoxyethanol 163.12
    isopentanol 52.03
    n-heptane 3.29
    ethyl formate 117.78
    1,2-dichloroethane 98.07
    n-hexanol 49.08
    2-methoxyethanol 325.56
    isobutyl acetate 45.42
    tetrachloromethane 27.85
    n-pentyl acetate 60.66
    transcutol 370.92
    n-heptanol 38.08
    ethylbenzene 13.31
    MIBK 79.3
    2-propoxyethanol 151.57
    tert-butanol 85.53
    MTBE 58.12
    2-butoxyethanol 99.08
    propionic acid 109.99
    o-xylene 34.71
    formic acid 162.38
    diethyl ether 56.99
    m-xylene 31.88
    p-xylene 21.93
    chlorobenzene 89.04
    dimethyl carbonate 113.57
    n-octane 1.65
    formamide 257.0
    cyclopentanone 385.47
    2-pentanone 138.84
    anisole 88.69
    cyclopentyl methyl ether 109.13
    gamma-butyrolactone 335.23
    1-methoxy-2-propanol 220.72
    pyridine 241.45
    3-pentanone 113.89
    furfural 473.65
    n-dodecane 2.42
    diethylene glycol 208.14
    diisopropyl ether 18.13
    tert-amyl alcohol 58.98
    acetylacetone 260.68
    n-hexadecane 2.83
    acetophenone 111.26
    methyl propionate 120.98
    isopentyl acetate 59.76
    trichloroethylene 260.85
    n-nonanol 34.9
    cyclohexanol 65.29
    benzyl alcohol 90.47
    2-ethylhexanol 33.3
    isooctanol 30.6
    dipropyl ether 40.42
    1,2-dichlorobenzene 88.78
    ethyl lactate 64.28
    propylene carbonate 159.94
    n-methylformamide 351.25
    2-pentanol 40.11
    n-pentane 1.2
    1-propoxy-2-propanol 109.8
    1-methoxy-2-propyl acetate 119.88
    2-(2-methoxypropoxy) propanol 119.71
    mesitylene 21.4
    ε-caprolactone 160.04
    p-cymene 20.92
    epichlorohydrin 267.41
    1,1,1-trichloroethane 105.21
    2-aminoethanol 105.97
    morpholine-4-carbaldehyde 609.41
    sulfolane 564.19
    2,2,4-trimethylpentane 1.86
    2-methyltetrahydrofuran 147.84
    n-hexyl acetate 66.73
    isooctane 1.74
    2-(2-butoxyethoxy)ethanol 151.05
    sec-butyl acetate 42.56
    tert-butyl acetate 81.98
    decalin 2.51
    glycerin 216.95
    diglyme 295.61
    acrylic acid 151.7
    isopropyl myristate 35.52
    n-butyric acid 111.29
    acetyl acetate 111.68
    di(2-ethylhexyl) phthalate 48.69
    ethyl propionate 54.6
    nitromethane 633.06
    1,2-diethoxyethane 109.08
    benzonitrile 126.61
    trioctyl phosphate 33.43
    1-bromopropane 26.88
    gamma-valerolactone 554.71
    n-decanol 28.66
    triethyl phosphate 39.27
    4-methyl-2-pentanol 27.9
    propionitrile 89.67
    vinylene carbonate 186.36
    1,1,2-trichlorotrifluoroethane 319.63
    DMS 86.87
    cumene 11.85
    2-octanol 27.34
    2-hexanone 76.62
    octyl acetate 46.66
    limonene 31.46
    1,2-dimethoxyethane 237.19
    ethyl orthosilicate 34.56
    tributyl phosphate 38.1
    diacetone alcohol 133.93
    N,N-dimethylaniline 67.28
    acrylonitrile 167.75
    aniline 105.79
    1,3-propanediol 132.92
    bromobenzene 75.52
    dibromomethane 65.47
    1,1,2,2-tetrachloroethane 203.17
    2-methyl-cyclohexyl acetate 53.6
    tetrabutyl urea 58.75
    diisobutyl methanol 25.15
    2-phenylethanol 78.4
    styrene 23.55
    dioctyl adipate 58.9
    dimethyl sulfate 272.58
    ethyl butyrate 57.32
    methyl lactate 130.22
    butyl lactate 65.4
    diethyl carbonate 42.84
    propanediol butyl ether 116.56
    triethyl orthoformate 48.73
    p-tert-butyltoluene 23.23
    methyl 4-tert-butylbenzoate 101.25
    morpholine 280.16
    tert-butylamine 37.46
    n-dodecanol 23.93
    dimethoxymethane 292.12
    ethylene carbonate 137.38
    cyrene 146.74
    2-ethoxyethyl acetate 106.33
    2-ethylhexyl acetate 47.61
    1,2,4-trichlorobenzene 125.64
    4-methylpyridine 197.93
    dibutyl ether 32.6
    2,6-dimethyl-4-heptanol 25.15
    DEF 203.53
    dimethyl isosorbide 195.63
    tetrachloroethylene 120.18
    eugenol 112.44
    triacetin 109.56
    span 80 104.46
    1,4-butanediol 72.05
    1,1-dichloroethane 93.09
    2-methyl-1-pentanol 38.47
    methyl formate 282.48
    2-methyl-1-butanol 45.89
    n-decane 3.23
    butyronitrile 80.11
    3,7-dimethyl-1-octanol 36.17
    1-chlorooctane 17.82
    1-chlorotetradecane 9.37
    n-nonane 2.55
    undecane 2.75
    tert-butylcyclohexane 2.34
    cyclooctane 1.56
    cyclopentanol 91.94
    tetrahydropyran 141.32
    tert-amyl methyl ether 46.95
    2,5,8-trioxanonane 240.24
    1-hexene 4.01
    2-isopropoxyethanol 101.39
    2,2,2-trifluoroethanol 128.52
    methyl butyrate 78.2

    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