2-Thiazolidinone

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  • Identifiers

    CAS number
    2682-49-7

    Molecular formula
    C3H5NOS

    SMILES
    C1CSC(=O)N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 47.19%
    Roasted 44.67%
    Nutty 43.83%
    Sulfurous 34.89%
    Cooked 31.78%
    Burnt 30.59%
    Popcorn 29.82%
    Savory 26.85%
    Odorless 26.1%
    Sweet 25.15%

     

    Flavor
    Bitter 39.46%
    Roasted 36.91%
    Sulfur 29.47%
    Cooked 27.2%
    Nutty 25.79%
    Taco 23.19%
    Meaty 22.81%
    Shrimp 22.39%
    Clam 22.24%
    Alkaline 21.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    6.16 (neutral)

    Molecular weight
    103.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 116.84 ˚C est.

  • Synonyms

    • 2682-49-7
    • 2-Thiazolidinone
    • 1,3-thiazolidin-2-one
    • Oxothiazolidine
    • 2-oxothiazolidine
    • UNII-M6U1ZG59XD
    • M6U1ZG59XD
    • NSC 122613
    • NSC-122613
    • DTXSID8074815
    • OTZ 100 (PRO-TAURINE)
    • RefChem:89443
    • OXOTHIAZOLIDINE [INCI]
    • DTXCID0037572
    • 608-003-4
    • Thiazolidin-2-one
    • 1,3-Thiazolan-2-one
    • MFCD01332388
    • Thiazolidone
    • hydroxythiazoline
    • Thiazolidine-2-one
    • SCHEMBL39416
    • SCHEMBL74000
    • SCHEMBL259570
    • SCHEMBL1378044
    • SCHEMBL1796765
    • SCHEMBL2126160
    • SCHEMBL9934424
    • SCHEMBL27758884
    • 1,3-thiazolidin-2-one, AldrichCPR
    • NSC122613
    • STL140859
    • AKOS005071882
    • BE-0742
    • CS-W023026
    • 28600-65-9
    • SY037960
    • NS00028201
    • T3926
    • EN300-08013
    • Tetrahydrothiazolyl thione 1,3-Thiazolidin-2-one
    • F215692
    • Q27283567
    • Z55928860
    • 1,3-Thiazolidin-2-one; 2-Oxothiazolidine; NSC 122613
    • 2682-49-7

  • Applications

    2-Thiazolidinone (CAS 2682-49-7) is primarily used as an intermediate and building block in chemical synthesis, particularly in medicinal chemistry for preparing thiazolidinone-based scaffolds and derivatives with potential pharmacological activity. It is commonly employed in library-style drug-discovery efforts to generate diverse heterocyclic compounds. It also serves as a starting material for the development of agrochemical lead candidates (pesticides and fungicides) and related derivatives. In addition, it provides a platform for further transformations to access related thiazolidinone compounds, enabling exploration of structure-activity relationships. Use is typically confined to research and development settings and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.09
    methanol 126.91
    isopropanol 17.47
    water 169.21
    ethyl acetate 3.44
    n-propanol 20.57
    acetone 12.0
    n-butanol 16.87
    acetonitrile 5.2
    DMF 87.82
    toluene 1.5
    isobutanol 14.5
    1,4-dioxane 11.48
    methyl acetate 5.24
    THF 16.89
    2-butanone 6.68
    n-pentanol 16.17
    sec-butanol 12.16
    n-hexane 0.38
    ethylene glycol 75.1
    NMP 104.01
    cyclohexane 0.41
    DMSO 99.02
    n-butyl acetate 9.73
    n-octanol 15.02
    chloroform 8.14
    n-propyl acetate 6.91
    acetic acid 115.1
    dichloromethane 8.1
    cyclohexanone 18.76
    propylene glycol 48.56
    isopropyl acetate 4.3
    DMAc 65.17
    2-ethoxyethanol 57.58
    isopentanol 17.31
    n-heptane 0.67
    ethyl formate 12.24
    1,2-dichloroethane 4.6
    n-hexanol 13.84
    2-methoxyethanol 77.4
    isobutyl acetate 6.04
    tetrachloromethane 1.9
    n-pentyl acetate 14.03
    transcutol 152.97
    n-heptanol 16.37
    ethylbenzene 1.86
    MIBK 7.93
    2-propoxyethanol 46.61
    tert-butanol 18.21
    MTBE 4.57
    2-butoxyethanol 50.52
    propionic acid 31.66
    o-xylene 2.59
    formic acid 216.12
    diethyl ether 2.32
    m-xylene 2.63
    p-xylene 3.03
    chlorobenzene 4.43
    dimethyl carbonate 5.84
    n-octane 0.49
    formamide 146.13
    cyclopentanone 24.71
    2-pentanone 6.11
    anisole 7.77
    cyclopentyl methyl ether 6.03
    gamma-butyrolactone 35.1
    1-methoxy-2-propanol 46.31
    pyridine 12.4
    3-pentanone 3.26
    furfural 72.05
    n-dodecane 0.6
    diethylene glycol 73.61
    diisopropyl ether 1.65
    tert-amyl alcohol 17.02
    acetylacetone 11.63
    n-hexadecane 0.64
    acetophenone 16.55
    methyl propionate 4.74
    isopentyl acetate 11.26
    trichloroethylene 12.75
    n-nonanol 13.49
    cyclohexanol 10.16
    benzyl alcohol 19.93
    2-ethylhexanol 9.5
    isooctanol 14.15
    dipropyl ether 3.7
    1,2-dichlorobenzene 7.46
    ethyl lactate 16.69
    propylene carbonate 23.59
    n-methylformamide 52.97
    2-pentanol 8.13
    n-pentane 0.41
    1-propoxy-2-propanol 31.53
    1-methoxy-2-propyl acetate 15.82
    2-(2-methoxypropoxy) propanol 48.71
    mesitylene 2.54
    ε-caprolactone 22.23
    p-cymene 4.02
    epichlorohydrin 21.36
    1,1,1-trichloroethane 2.82
    2-aminoethanol 74.51
    morpholine-4-carbaldehyde 86.22
    sulfolane 77.17
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 9.3
    n-hexyl acetate 16.86
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 64.06
    sec-butyl acetate 4.82
    tert-butyl acetate 7.16
    decalin 0.6
    glycerin 106.22
    diglyme 87.24
    acrylic acid 54.1
    isopropyl myristate 6.94
    n-butyric acid 25.37
    acetyl acetate 5.13
    di(2-ethylhexyl) phthalate 18.67
    ethyl propionate 4.32
    nitromethane 65.61
    1,2-diethoxyethane 13.8
    benzonitrile 14.68
    trioctyl phosphate 12.2
    1-bromopropane 1.52
    gamma-valerolactone 58.26
    n-decanol 9.82
    triethyl phosphate 7.42
    4-methyl-2-pentanol 8.44
    propionitrile 3.91
    vinylene carbonate 28.78
    1,1,2-trichlorotrifluoroethane 57.85
    DMS 12.04
    cumene 2.77
    2-octanol 10.57
    2-hexanone 8.75
    octyl acetate 10.68
    limonene 4.87
    1,2-dimethoxyethane 34.67
    ethyl orthosilicate 6.75
    tributyl phosphate 12.79
    diacetone alcohol 22.82
    N,N-dimethylaniline 11.06
    acrylonitrile 10.08
    aniline 7.89
    1,3-propanediol 57.9
    bromobenzene 2.85
    dibromomethane 4.15
    1,1,2,2-tetrachloroethane 11.27
    2-methyl-cyclohexyl acetate 12.85
    tetrabutyl urea 20.66
    diisobutyl methanol 6.9
    2-phenylethanol 18.93
    styrene 2.18
    dioctyl adipate 14.42
    dimethyl sulfate 18.88
    ethyl butyrate 7.42
    methyl lactate 22.6
    butyl lactate 29.41
    diethyl carbonate 5.82
    propanediol butyl ether 75.39
    triethyl orthoformate 7.97
    p-tert-butyltoluene 3.97
    methyl 4-tert-butylbenzoate 31.03
    morpholine 17.52
    tert-butylamine 8.12
    n-dodecanol 7.22
    dimethoxymethane 18.92
    ethylene carbonate 16.66
    cyrene 57.55
    2-ethoxyethyl acetate 20.27
    2-ethylhexyl acetate 8.39
    1,2,4-trichlorobenzene 10.03
    4-methylpyridine 12.04
    dibutyl ether 5.71
    2,6-dimethyl-4-heptanol 6.9
    DEF 15.37
    dimethyl isosorbide 56.47
    tetrachloroethylene 10.6
    eugenol 45.08
    triacetin 30.02
    span 80 46.53
    1,4-butanediol 40.34
    1,1-dichloroethane 2.39
    2-methyl-1-pentanol 15.98
    methyl formate 33.79
    2-methyl-1-butanol 14.96
    n-decane 0.82
    butyronitrile 5.27
    3,7-dimethyl-1-octanol 14.01
    1-chlorooctane 3.19
    1-chlorotetradecane 1.68
    n-nonane 0.7
    undecane 0.68
    tert-butylcyclohexane 0.75
    cyclooctane 0.29
    cyclopentanol 14.93
    tetrahydropyran 4.69
    tert-amyl methyl ether 4.89
    2,5,8-trioxanonane 71.12
    1-hexene 1.27
    2-isopropoxyethanol 32.69
    2,2,2-trifluoroethanol 53.51
    methyl butyrate 8.64

    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