1,2,3,5-Tetrathiane

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  • Identifiers

    CAS number
    19901-14-5

    Molecular formula
    C2H4S4

    SMILES
    C1SCSSS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 84.52%
    Meaty 57.22%
    Mushroom 55.46%
    Garlic 51.6%
    Roasted 49.6%
    Onion 47.67%
    Alliaceous 42.04%
    Cooked 36.31%
    Savory 33.32%
    Beefy 32.05%

     

    Flavor
    Mushroom 36.64%
    Roasted 36.51%
    Alliaceous 34.77%
    Sulfurous 32.96%
    Meaty 26.08%
    Sulfur 25.2%
    Savory 24.12%
    Fishy 23.42%
    Garlic 22.58%
    Onion 22.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    0.35 (strong acid)

    Molecular weight
    156.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    303°C

    Flash point

    • 121.17 ˚C est.

  • Synonyms

    • 1,2,3,5-tetrathiane
    • 19901-14-5
    • DTXSID80423859
    • RefChem:214580
    • DTXCID00374697
    • SXOZCTIVHNLKAZ-UHFFFAOYSA-N
    • SCHEMBL11006400
    • 19901-14-5

  • Applications

    1,2,3,5-Tetrathiane (CAS 19901-14-5) is used primarily as a sulfur-rich building block in organic synthesis; it is commonly evaluated as an intermediate for preparing sulfur-containing compounds. It can act as a sulfur donor in crosslinking or curing formulations for specialty polymers and coatings. It serves as a ligand precursor in coordination chemistry and catalysis, enabling metal–sulfur complexes. It is also studied as a precursor for sulfur-containing polymers and materials with potential applications in electronics. In research settings, it is used as a specialty reagent, with practicality depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.03
    methanol 42.16
    isopropanol 35.46
    water 1.39
    ethyl acetate 98.77
    n-propanol 40.56
    acetone 166.52
    n-butanol 41.12
    acetonitrile 78.03
    DMF 217.49
    toluene 137.46
    isobutanol 33.07
    1,4-dioxane 244.23
    methyl acetate 99.16
    THF 374.84
    2-butanone 121.84
    n-pentanol 37.03
    sec-butanol 36.61
    n-hexane 13.88
    ethylene glycol 22.74
    NMP 308.13
    cyclohexane 48.1
    DMSO 260.59
    n-butyl acetate 101.81
    n-octanol 51.24
    chloroform 328.55
    n-propyl acetate 78.69
    acetic acid 94.49
    dichloromethane 227.53
    cyclohexanone 255.6
    propylene glycol 26.04
    isopropyl acetate 73.03
    DMAc 181.34
    2-ethoxyethanol 83.09
    isopentanol 37.33
    n-heptane 35.38
    ethyl formate 68.89
    1,2-dichloroethane 154.63
    n-hexanol 56.61
    2-methoxyethanol 112.92
    isobutyl acetate 61.19
    tetrachloromethane 78.94
    n-pentyl acetate 83.84
    transcutol 298.37
    n-heptanol 47.57
    ethylbenzene 56.79
    MIBK 77.1
    2-propoxyethanol 111.51
    tert-butanol 50.22
    MTBE 57.31
    2-butoxyethanol 85.48
    propionic acid 62.83
    o-xylene 91.47
    formic acid 32.65
    diethyl ether 83.38
    m-xylene 89.97
    p-xylene 69.62
    chlorobenzene 164.56
    dimethyl carbonate 69.74
    n-octane 16.11
    formamide 57.1
    cyclopentanone 328.66
    2-pentanone 112.08
    anisole 119.81
    cyclopentyl methyl ether 186.11
    gamma-butyrolactone 294.41
    1-methoxy-2-propanol 97.01
    pyridine 231.9
    3-pentanone 108.7
    furfural 315.18
    n-dodecane 13.04
    diethylene glycol 94.73
    diisopropyl ether 41.68
    tert-amyl alcohol 42.8
    acetylacetone 166.55
    n-hexadecane 14.96
    acetophenone 130.96
    methyl propionate 94.86
    isopentyl acetate 86.03
    trichloroethylene 331.53
    n-nonanol 49.77
    cyclohexanol 85.1
    benzyl alcohol 91.62
    2-ethylhexanol 54.61
    isooctanol 42.15
    dipropyl ether 97.34
    1,2-dichlorobenzene 159.03
    ethyl lactate 52.83
    propylene carbonate 163.72
    n-methylformamide 81.43
    2-pentanol 37.54
    n-pentane 17.79
    1-propoxy-2-propanol 102.81
    1-methoxy-2-propyl acetate 127.34
    2-(2-methoxypropoxy) propanol 96.33
    mesitylene 62.62
    ε-caprolactone 186.66
    p-cymene 62.83
    epichlorohydrin 251.48
    1,1,1-trichloroethane 178.85
    2-aminoethanol 33.56
    morpholine-4-carbaldehyde 282.94
    sulfolane 356.21
    2,2,4-trimethylpentane 12.31
    2-methyltetrahydrofuran 205.95
    n-hexyl acetate 93.93
    isooctane 10.84
    2-(2-butoxyethoxy)ethanol 129.44
    sec-butyl acetate 60.67
    tert-butyl acetate 90.17
    decalin 23.29
    glycerin 50.28
    diglyme 245.43
    acrylic acid 71.74
    isopropyl myristate 53.7
    n-butyric acid 81.15
    acetyl acetate 94.8
    di(2-ethylhexyl) phthalate 54.16
    ethyl propionate 68.7
    nitromethane 167.33
    1,2-diethoxyethane 132.93
    benzonitrile 130.09
    trioctyl phosphate 41.48
    1-bromopropane 87.55
    gamma-valerolactone 347.86
    n-decanol 40.63
    triethyl phosphate 59.74
    4-methyl-2-pentanol 29.72
    propionitrile 64.01
    vinylene carbonate 156.06
    1,1,2-trichlorotrifluoroethane 196.3
    DMS 85.9
    cumene 43.39
    2-octanol 37.76
    2-hexanone 85.46
    octyl acetate 62.67
    limonene 87.4
    1,2-dimethoxyethane 152.03
    ethyl orthosilicate 58.87
    tributyl phosphate 47.01
    diacetone alcohol 97.73
    N,N-dimethylaniline 94.95
    acrylonitrile 90.36
    aniline 119.81
    1,3-propanediol 44.32
    bromobenzene 183.13
    dibromomethane 177.2
    1,1,2,2-tetrachloroethane 274.59
    2-methyl-cyclohexyl acetate 83.25
    tetrabutyl urea 69.89
    diisobutyl methanol 45.64
    2-phenylethanol 96.49
    styrene 76.66
    dioctyl adipate 74.42
    dimethyl sulfate 121.08
    ethyl butyrate 90.99
    methyl lactate 64.47
    butyl lactate 69.16
    diethyl carbonate 64.62
    propanediol butyl ether 83.81
    triethyl orthoformate 81.89
    p-tert-butyltoluene 63.26
    methyl 4-tert-butylbenzoate 117.79
    morpholine 209.09
    tert-butylamine 37.2
    n-dodecanol 35.07
    dimethoxymethane 153.42
    ethylene carbonate 125.07
    cyrene 134.34
    2-ethoxyethyl acetate 115.51
    2-ethylhexyl acetate 81.67
    1,2,4-trichlorobenzene 190.77
    4-methylpyridine 192.33
    dibutyl ether 72.6
    2,6-dimethyl-4-heptanol 45.64
    DEF 128.59
    dimethyl isosorbide 206.25
    tetrachloroethylene 202.43
    eugenol 114.5
    triacetin 119.84
    span 80 103.83
    1,4-butanediol 26.94
    1,1-dichloroethane 131.63
    2-methyl-1-pentanol 33.83
    methyl formate 79.82
    2-methyl-1-butanol 35.68
    n-decane 19.67
    butyronitrile 64.83
    3,7-dimethyl-1-octanol 50.15
    1-chlorooctane 51.26
    1-chlorotetradecane 27.4
    n-nonane 19.61
    undecane 15.28
    tert-butylcyclohexane 19.45
    cyclooctane 25.63
    cyclopentanol 97.46
    tetrahydropyran 196.27
    tert-amyl methyl ether 61.56
    2,5,8-trioxanonane 195.18
    1-hexene 34.38
    2-isopropoxyethanol 68.56
    2,2,2-trifluoroethanol 57.38
    methyl butyrate 85.5

    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