Thiotaurine

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  • Identifiers

    CAS number
    2937-54-4

    Molecular formula
    C2H7NO2S2

    SMILES
    C(CS(=O)(=S)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.56%
    Sulfurous 34.72%
    Pungent 28.48%
    Savory 28.0%
    Cooked 25.29%
    Onion 25.01%
    Garlic 24.49%
    Meaty 22.08%
    Roasted 21.04%
    Alliaceous 19.76%

     

    Flavor
    Bitter 74.66%
    Odorless 30.97%
    Bland 28.7%
    Nitrile 20.53%
    Formyl 20.06%
    Sulfur 19.61%
    Taco 19.53%
    Mild 19.32%
    Scallion 19.2%
    Gooseberry 19.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    11.05 (strong base)

    Molecular weight
    141.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 130.01 ˚C est.

  • Synonyms

    • Thiotaurine
    • 2937-54-4
    • 2-Aminoethanethiosulfonic acid
    • NQZ2D7AO62
    • DTXSID20183602
    • AETS
    • RefChem:933005
    • DTXCID20106093
    • 220-918-7
    • 2-hydroxysulfonothioylethanamine
    • Sodium 2-aminosulphonothioacetate
    • EINECS 250-888-0
    • 31999-89-0
    • Ethanesulfonothioic acid, 2-amino-, monosodium salt
    • 2-Aminoethane-1-sulfonothioic O-acid
    • UNII-NQZ2D7AO62
    • 2-aminoethanesulfonothioic acid
    • EINECS 220-918-7
    • orb2943131
    • SCHEMBL4927335
    • SCHEMBL4927340
    • DTXSID10863062
    • SHWIJIJNPFXOFS-UHFFFAOYSA-N
    • HY-N15156
    • 2-Aminoethane-1-sulfonothioic S-acid
    • AKOS006339614
    • AKOS006342394
    • NS00014157
    • H43208
    • Q15634190
    • 2937-54-4

  • Applications

    Thiotaurine (CAS 2937-54-4) is viewed as an important intermediate in the synthesis of sulfur-containing compounds and their derivatives, supporting activities in synthetic chemistry, pharmaceuticals, and materials. It can serve as a building block for specialty chemicals in polymers and coatings or inks, owing to its sulfonic and amino groups that aid solubility and ionic character. In organic chemistry research and drug development, thiotaurine is used as a reagent for preparing thio-taurine derivatives and as a sulfur-containing amino acid analog for studying mechanisms and properties. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.79
    methanol 37.14
    isopropanol 4.78
    water 73.16
    ethyl acetate 3.58
    n-propanol 5.38
    acetone 49.61
    n-butanol 3.38
    acetonitrile 9.61
    DMF 129.48
    toluene 0.8
    isobutanol 2.67
    1,4-dioxane 9.57
    methyl acetate 6.01
    THF 25.88
    2-butanone 10.69
    n-pentanol 2.16
    sec-butanol 2.4
    n-hexane 0.08
    ethylene glycol 35.53
    NMP 117.81
    cyclohexane 0.21
    DMSO 201.4
    n-butyl acetate 4.45
    n-octanol 2.07
    chloroform 0.41
    n-propyl acetate 3.57
    acetic acid 60.13
    dichloromethane 0.71
    cyclohexanone 15.81
    propylene glycol 20.69
    isopropyl acetate 3.25
    DMAc 77.52
    2-ethoxyethanol 25.2
    isopentanol 2.59
    n-heptane 0.32
    ethyl formate 8.18
    1,2-dichloroethane 1.18
    n-hexanol 3.85
    2-methoxyethanol 59.36
    isobutyl acetate 2.21
    tetrachloromethane 0.24
    n-pentyl acetate 3.4
    transcutol 37.23
    n-heptanol 3.05
    ethylbenzene 0.36
    MIBK 5.99
    2-propoxyethanol 24.9
    tert-butanol 6.03
    MTBE 1.64
    2-butoxyethanol 13.57
    propionic acid 13.03
    o-xylene 1.13
    formic acid 97.52
    diethyl ether 1.45
    m-xylene 1.11
    p-xylene 0.62
    chlorobenzene 0.86
    dimethyl carbonate 6.23
    n-octane 0.12
    formamide 105.92
    cyclopentanone 33.81
    2-pentanone 9.29
    anisole 2.46
    cyclopentyl methyl ether 5.44
    gamma-butyrolactone 35.38
    1-methoxy-2-propanol 33.1
    pyridine 5.8
    3-pentanone 5.3
    furfural 46.59
    n-dodecane 0.1
    diethylene glycol 44.44
    diisopropyl ether 0.73
    tert-amyl alcohol 3.68
    acetylacetone 26.94
    n-hexadecane 0.12
    acetophenone 6.6
    methyl propionate 5.51
    isopentyl acetate 3.65
    trichloroethylene 2.02
    n-nonanol 2.06
    cyclohexanol 2.78
    benzyl alcohol 4.52
    2-ethylhexanol 2.08
    isooctanol 2.23
    dipropyl ether 2.53
    1,2-dichlorobenzene 1.08
    ethyl lactate 9.18
    propylene carbonate 15.04
    n-methylformamide 49.56
    2-pentanol 1.75
    n-pentane 0.12
    1-propoxy-2-propanol 15.88
    1-methoxy-2-propyl acetate 12.14
    2-(2-methoxypropoxy) propanol 17.99
    mesitylene 1.14
    ε-caprolactone 11.94
    p-cymene 1.17
    epichlorohydrin 12.81
    1,1,1-trichloroethane 0.75
    2-aminoethanol 28.9
    morpholine-4-carbaldehyde 75.34
    sulfolane 88.85
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 6.46
    n-hexyl acetate 3.63
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 20.27
    sec-butyl acetate 1.93
    tert-butyl acetate 5.82
    decalin 0.12
    glycerin 58.25
    diglyme 33.8
    acrylic acid 22.29
    isopropyl myristate 1.96
    n-butyric acid 10.64
    acetyl acetate 5.4
    di(2-ethylhexyl) phthalate 4.79
    ethyl propionate 2.83
    nitromethane 92.19
    1,2-diethoxyethane 4.8
    benzonitrile 3.71
    trioctyl phosphate 3.27
    1-bromopropane 0.38
    gamma-valerolactone 63.86
    n-decanol 1.63
    triethyl phosphate 3.74
    4-methyl-2-pentanol 1.61
    propionitrile 2.6
    vinylene carbonate 12.35
    1,1,2-trichlorotrifluoroethane 30.86
    DMS 5.14
    cumene 0.46
    2-octanol 1.48
    2-hexanone 4.51
    octyl acetate 2.95
    limonene 1.78
    1,2-dimethoxyethane 23.19
    ethyl orthosilicate 2.91
    tributyl phosphate 3.42
    diacetone alcohol 19.19
    N,N-dimethylaniline 3.11
    acrylonitrile 6.33
    aniline 2.78
    1,3-propanediol 24.09
    bromobenzene 0.5
    dibromomethane 0.44
    1,1,2,2-tetrachloroethane 1.7
    2-methyl-cyclohexyl acetate 5.2
    tetrabutyl urea 6.89
    diisobutyl methanol 1.72
    2-phenylethanol 5.72
    styrene 0.41
    dioctyl adipate 4.93
    dimethyl sulfate 22.45
    ethyl butyrate 4.35
    methyl lactate 19.43
    butyl lactate 7.81
    diethyl carbonate 2.98
    propanediol butyl ether 14.93
    triethyl orthoformate 3.77
    p-tert-butyltoluene 1.26
    methyl 4-tert-butylbenzoate 12.25
    morpholine 12.47
    tert-butylamine 1.96
    n-dodecanol 1.29
    dimethoxymethane 27.0
    ethylene carbonate 8.02
    cyrene 33.62
    2-ethoxyethyl acetate 7.09
    2-ethylhexyl acetate 2.64
    1,2,4-trichlorobenzene 1.74
    4-methylpyridine 4.66
    dibutyl ether 1.11
    2,6-dimethyl-4-heptanol 1.72
    DEF 13.37
    dimethyl isosorbide 32.59
    tetrachloroethylene 1.53
    eugenol 15.27
    triacetin 11.55
    span 80 14.65
    1,4-butanediol 10.39
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 1.78
    methyl formate 40.53
    2-methyl-1-butanol 2.14
    n-decane 0.15
    butyronitrile 2.54
    3,7-dimethyl-1-octanol 2.08
    1-chlorooctane 0.51
    1-chlorotetradecane 0.3
    n-nonane 0.13
    undecane 0.12
    tert-butylcyclohexane 0.11
    cyclooctane 0.13
    cyclopentanol 5.96
    tetrahydropyran 3.03
    tert-amyl methyl ether 1.71
    2,5,8-trioxanonane 32.06
    1-hexene 0.23
    2-isopropoxyethanol 11.73
    2,2,2-trifluoroethanol 30.16
    methyl butyrate 4.83

    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