Thiazolidine

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  • Identifiers

    CAS number
    504-78-9

    Molecular formula
    C3H7NS

    SMILES
    C1CSCN1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 60.49%
    Meaty 44.0%
    Sweet 42.48%
    Nutty 35.71%
    Roasted 34.38%
    Animal 31.84%
    Popcorn 30.78%
    Cooked 28.76%
    Sulfurous 28.39%
    Pungent 26.92%

     

    Flavor
    Roasted 44.88%
    Animal 33.96%
    Ammoniacal 33.91%
    Amine 31.84%
    Sulfurous 31.79%
    Egg 29.18%
    Fishy 28.09%
    Bitter 27.84%
    Alkaline 27.81%
    Alliaceous 27.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    3.88 (weak acid)

    Molecular weight
    89.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 45.44 ˚C est.

  • Synonyms

    • THIAZOLIDINE
    • 504-78-9
    • 1,3-Thiazolidine
    • Tetrahydrothiazole
    • Thiazolidines
    • I320806BKW
    • NSC-357911
    • CHEBI:50120
    • DTXSID10198447
    • RefChem:389315
    • CHEBI:35622
    • CHEBI:38333
    • DTXCID40120938
    • 208-002-5
    • 1-Thia-3-azacyclopentane
    • Thiazole, tetrahydro-
    • MFCD00005211
    • CHEMBL1916078
    • CCRIS 4275
    • EINECS 208-002-5
    • BRN 0102469
    • UNII-I320806BKW
    • 1,3-Thiazolidine; 1-Thia-3-azacyclopentane; Tetrahydrothiazole; Tetrahydro-thiazole
    • NSC357911
    • Thiazolidine, 95%
    • 1,3-Thiazolidine #
    • 1,3-thiazolidin-3-ium
    • SCHEMBL3359
    • SCHEMBL7360
    • SCHEMBL9339
    • SCHEMBL9493
    • SCHEMBL23911
    • SCHEMBL76815
    • 4-27-00-00009 (Beilstein Handbook Reference)
    • SCHEMBL131493
    • SCHEMBL269534
    • SCHEMBL448852
    • SCHEMBL1973475
    • SCHEMBL2015064
    • SCHEMBL5464523
    • SCHEMBL6237347
    • ALBB-022614
    • HY-I0144
    • MSK10427
    • STR04848
    • BDBM50357214
    • AKOS005146302
    • NSC 357911
    • CS-0006687
    • NS00022248
    • ST51041175
    • T0793
    • EN300-43043
    • H11361
    • F243195
    • Q413761
    • InChI=1/C3H7NS/c1-2-5-3-4-1/h4H,1-3H
    • 504-78-9

  • Applications

    Thiazolidine (CAS 504-78-9) is primarily used as an organic synthesis intermediate, providing a building block for thiazolidine derivatives and other heterocycles that are explored in pharmaceutical and agrochemical development. It also serves as a versatile building block in polymer and materials chemistry, enabling the synthesis of functional heterocycles for specialty plastics, coatings, and related applications. In research and development, thiazolidine acts as a reagent for ring-formation reactions and as a scaffold for exploring new synthetic routes and catalyst systems. Depending on the formulation and regulatory context, it may be used as a precursor in broader specialty chemical synthesis within electronics, coatings, or adhesives, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 361.71
    methanol 663.6
    isopropanol 158.6
    water 111.85
    ethyl acetate 65.93
    n-propanol 222.52
    acetone 281.85
    n-butanol 151.07
    acetonitrile 134.12
    DMF 537.3
    toluene 19.47
    isobutanol 123.3
    1,4-dioxane 152.78
    methyl acetate 88.48
    THF 336.59
    2-butanone 118.1
    n-pentanol 93.66
    sec-butanol 103.49
    n-hexane 3.06
    ethylene glycol 396.85
    NMP 420.67
    cyclohexane 8.3
    DMSO 696.86
    n-butyl acetate 104.14
    n-octanol 50.77
    chloroform 186.32
    n-propyl acetate 62.5
    acetic acid 1028.36
    dichloromethane 120.86
    cyclohexanone 189.26
    propylene glycol 330.88
    isopropyl acetate 36.54
    DMAc 299.55
    2-ethoxyethanol 228.06
    isopentanol 79.52
    n-heptane 11.31
    ethyl formate 102.08
    1,2-dichloroethane 72.11
    n-hexanol 135.69
    2-methoxyethanol 461.28
    isobutyl acetate 40.67
    tetrachloromethane 39.43
    n-pentyl acetate 50.95
    transcutol 395.65
    n-heptanol 74.92
    ethylbenzene 7.14
    MIBK 40.29
    2-propoxyethanol 315.29
    tert-butanol 124.01
    MTBE 32.06
    2-butoxyethanol 182.91
    propionic acid 311.77
    o-xylene 14.2
    formic acid 804.67
    diethyl ether 35.03
    m-xylene 17.57
    p-xylene 11.62
    chlorobenzene 44.02
    dimethyl carbonate 50.33
    n-octane 3.11
    formamide 581.44
    cyclopentanone 327.86
    2-pentanone 85.48
    anisole 34.3
    cyclopentyl methyl ether 103.33
    gamma-butyrolactone 333.69
    1-methoxy-2-propanol 256.71
    pyridine 164.58
    3-pentanone 59.05
    furfural 351.73
    n-dodecane 2.36
    diethylene glycol 361.86
    diisopropyl ether 10.63
    tert-amyl alcohol 81.74
    acetylacetone 104.57
    n-hexadecane 2.53
    acetophenone 53.55
    methyl propionate 84.32
    isopentyl acetate 65.7
    trichloroethylene 191.83
    n-nonanol 42.41
    cyclohexanol 108.48
    benzyl alcohol 73.58
    2-ethylhexanol 61.95
    isooctanol 46.82
    dipropyl ether 58.08
    1,2-dichlorobenzene 40.42
    ethyl lactate 67.65
    propylene carbonate 144.48
    n-methylformamide 386.18
    2-pentanol 62.77
    n-pentane 4.51
    1-propoxy-2-propanol 231.82
    1-methoxy-2-propyl acetate 103.55
    2-(2-methoxypropoxy) propanol 105.89
    mesitylene 11.01
    ε-caprolactone 151.41
    p-cymene 18.11
    epichlorohydrin 213.13
    1,1,1-trichloroethane 62.15
    2-aminoethanol 453.01
    morpholine-4-carbaldehyde 360.98
    sulfolane 423.49
    2,2,4-trimethylpentane 2.81
    2-methyltetrahydrofuran 144.22
    n-hexyl acetate 56.01
    isooctane 2.41
    2-(2-butoxyethoxy)ethanol 164.73
    sec-butyl acetate 27.94
    tert-butyl acetate 38.52
    decalin 2.92
    glycerin 511.7
    diglyme 278.81
    acrylic acid 389.39
    isopropyl myristate 20.02
    n-butyric acid 265.22
    acetyl acetate 56.49
    di(2-ethylhexyl) phthalate 39.52
    ethyl propionate 39.85
    nitromethane 632.87
    1,2-diethoxyethane 69.69
    benzonitrile 71.37
    trioctyl phosphate 30.02
    1-bromopropane 25.94
    gamma-valerolactone 384.36
    n-decanol 30.44
    triethyl phosphate 30.53
    4-methyl-2-pentanol 30.46
    propionitrile 86.85
    vinylene carbonate 144.81
    1,1,2-trichlorotrifluoroethane 407.85
    DMS 42.92
    cumene 7.17
    2-octanol 31.75
    2-hexanone 58.69
    octyl acetate 34.09
    limonene 30.49
    1,2-dimethoxyethane 148.46
    ethyl orthosilicate 30.0
    tributyl phosphate 32.88
    diacetone alcohol 101.47
    N,N-dimethylaniline 28.85
    acrylonitrile 152.16
    aniline 81.12
    1,3-propanediol 354.51
    bromobenzene 31.61
    dibromomethane 69.63
    1,1,2,2-tetrachloroethane 155.84
    2-methyl-cyclohexyl acetate 53.73
    tetrabutyl urea 49.67
    diisobutyl methanol 27.7
    2-phenylethanol 88.55
    styrene 11.47
    dioctyl adipate 40.72
    dimethyl sulfate 99.66
    ethyl butyrate 59.92
    methyl lactate 126.12
    butyl lactate 74.03
    diethyl carbonate 36.46
    propanediol butyl ether 170.25
    triethyl orthoformate 48.81
    p-tert-butyltoluene 18.47
    methyl 4-tert-butylbenzoate 68.35
    morpholine 237.69
    tert-butylamine 52.56
    n-dodecanol 23.11
    dimethoxymethane 140.84
    ethylene carbonate 109.22
    cyrene 129.28
    2-ethoxyethyl acetate 73.97
    2-ethylhexyl acetate 50.58
    1,2,4-trichlorobenzene 56.88
    4-methylpyridine 93.22
    dibutyl ether 26.11
    2,6-dimethyl-4-heptanol 27.7
    DEF 110.68
    dimethyl isosorbide 148.07
    tetrachloroethylene 122.68
    eugenol 96.12
    triacetin 74.4
    span 80 132.06
    1,4-butanediol 173.7
    1,1-dichloroethane 58.09
    2-methyl-1-pentanol 50.41
    methyl formate 215.63
    2-methyl-1-butanol 84.35
    n-decane 3.73
    butyronitrile 73.06
    3,7-dimethyl-1-octanol 37.87
    1-chlorooctane 15.1
    1-chlorotetradecane 6.24
    n-nonane 3.56
    undecane 2.8
    tert-butylcyclohexane 2.99
    cyclooctane 3.09
    cyclopentanol 203.55
    tetrahydropyran 109.88
    tert-amyl methyl ether 27.75
    2,5,8-trioxanonane 195.63
    1-hexene 9.98
    2-isopropoxyethanol 127.22
    2,2,2-trifluoroethanol 329.39
    methyl butyrate 58.54

    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