Methyl methanethiosulfinate

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  • Identifiers

    CAS number
    13882-12-7

    Molecular formula
    C2H6OS2

    SMILES
    CSS(=O)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sulfurous 81.53%
    Onion 79.27%
    Garlic 73.73%
    Alliaceous 63.53%
    Cooked 46.66%
    Vegetable 45.84%
    Savory 45.75%
    Pungent 45.29%
    Cabbage 44.99%
    Meaty 41.66%

     

    Flavor
    Garlic 64.32%
    Sulfurous 61.87%
    Onion 58.54%
    Sulfur 49.12%
    Cabbage 47.63%
    Meaty 46.0%
    Sulfury 43.21%
    Mustard 41.89%
    Vegetable 41.32%
    Alliaceous 39.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    9.49 (weak base)

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 83.4 ˚C est.

  • Synonyms

    • 13882-12-7
    • Methyl methanethiosulfinate
    • DTXSID601310808
    • RefChem:817857
    • methyl methane thiosulfinate
    • DTXCID301740646
    • (methanesulfinylsulfanyl)methane
    • S-Methyl methanesulfinothioate
    • Dimethyl thiosulfinate
    • S-Methyl methanethiosulfinate
    • methylsulfinylsulfanylmethane
    • Methyl methane thiosulphinate
    • S-Methyl thiomethanesulfinate
    • Dimethyldisulfide, S-oxide
    • Methanesulfinothioic acid, S-methyl ester
    • CHEMBL403038
    • BRN 1738960
    • C2H6OS2
    • Me-SS(O)-Me
    • methylsulinylsulanylmethane
    • S-methylmethane thiosulfinate
    • methylsulfinylsulfanyl-methane
    • 4-04-00-00004 (Beilstein Handbook Reference)
    • S-methyl methane thiosulfinate
    • SCHEMBL862565
    • CHEBI:184354
    • RRGUMJYEQDVBFP-UHFFFAOYSA-N
    • Methanesulfinic acid, thio-, S-methyl ester (6CI,7CI,8CI)
    • NSC23129
    • BDBM50540965
    • MFCD01754729
    • NSC 23129
    • NSC-23129
    • AKOS006278759
    • EBC-610996
    • SY359048
    • Methanesulfinic acid, thio-, S-methyl ester
    • NS00093836
    • EN300-213506
    • 13882-12-7

  • Applications

    Methyl methanethiosulfinate (CAS 13882-12-7) is primarily used as a specialty intermediate in organic synthesis to introduce sulfur-containing functionalities, notably thioether and thiosulfinate motifs. It serves as a sulfur-transfer reagent and a reactive building block for functionalizing polymers and adhesive formulations, enabling crosslinking and the synthesis of sulfur-containing derivatives. In fragrance and flavor chemistry, it may be evaluated as a reactive sulfur source to shape odor profiles and as a precursor to sulfur-containing aroma compounds. It also finds utility in coatings and inks development as a reactive additive for tailoring coating performance. In research and development settings, it is handled as a reactive sulfur reagent for method development and exploratory synthesis, with use and handling governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 442.36
    methanol 871.65
    isopropanol 258.37
    water 448.29
    ethyl acetate 150.73
    n-propanol 277.98
    acetone 290.96
    n-butanol 234.93
    acetonitrile 378.97
    DMF 678.44
    toluene 70.45
    isobutanol 182.6
    1,4-dioxane 340.09
    methyl acetate 257.42
    THF 310.8
    2-butanone 209.83
    n-pentanol 165.65
    sec-butanol 230.05
    n-hexane 26.12
    ethylene glycol 296.83
    NMP 551.61
    cyclohexane 30.98
    DMSO 361.49
    n-butyl acetate 82.46
    n-octanol 139.44
    chloroform 441.92
    n-propyl acetate 98.16
    acetic acid 587.75
    dichloromethane 357.73
    cyclohexanone 230.07
    propylene glycol 254.71
    isopropyl acetate 89.63
    DMAc 518.16
    2-ethoxyethanol 362.94
    isopentanol 160.1
    n-heptane 28.03
    ethyl formate 184.49
    1,2-dichloroethane 158.67
    n-hexanol 141.33
    2-methoxyethanol 593.12
    isobutyl acetate 57.86
    tetrachloromethane 150.36
    n-pentyl acetate 104.84
    transcutol 589.76
    n-heptanol 139.39
    ethylbenzene 50.33
    MIBK 89.17
    2-propoxyethanol 277.81
    tert-butanol 240.11
    MTBE 137.19
    2-butoxyethanol 250.62
    propionic acid 330.57
    o-xylene 78.77
    formic acid 702.23
    diethyl ether 153.43
    m-xylene 57.5
    p-xylene 70.86
    chlorobenzene 103.77
    dimethyl carbonate 103.08
    n-octane 16.15
    formamide 798.89
    cyclopentanone 297.07
    2-pentanone 139.78
    anisole 137.35
    cyclopentyl methyl ether 153.8
    gamma-butyrolactone 370.57
    1-methoxy-2-propanol 370.35
    pyridine 259.45
    3-pentanone 122.03
    furfural 441.85
    n-dodecane 12.73
    diethylene glycol 287.24
    diisopropyl ether 45.96
    tert-amyl alcohol 225.73
    acetylacetone 169.2
    n-hexadecane 13.37
    acetophenone 144.51
    methyl propionate 156.73
    isopentyl acetate 67.75
    trichloroethylene 320.58
    n-nonanol 114.83
    cyclohexanol 167.55
    benzyl alcohol 154.47
    2-ethylhexanol 83.44
    isooctanol 99.13
    dipropyl ether 80.85
    1,2-dichlorobenzene 117.67
    ethyl lactate 95.05
    propylene carbonate 187.99
    n-methylformamide 515.83
    2-pentanol 158.23
    n-pentane 33.87
    1-propoxy-2-propanol 179.52
    1-methoxy-2-propyl acetate 106.95
    2-(2-methoxypropoxy) propanol 166.43
    mesitylene 41.8
    ε-caprolactone 217.31
    p-cymene 46.68
    epichlorohydrin 277.42
    1,1,1-trichloroethane 184.41
    2-aminoethanol 390.18
    morpholine-4-carbaldehyde 514.46
    sulfolane 345.43
    2,2,4-trimethylpentane 20.5
    2-methyltetrahydrofuran 224.9
    n-hexyl acetate 135.56
    isooctane 11.65
    2-(2-butoxyethoxy)ethanol 234.44
    sec-butyl acetate 64.48
    tert-butyl acetate 92.71
    decalin 23.12
    glycerin 384.86
    diglyme 405.51
    acrylic acid 380.07
    isopropyl myristate 50.6
    n-butyric acid 269.38
    acetyl acetate 121.82
    di(2-ethylhexyl) phthalate 59.9
    ethyl propionate 84.73
    nitromethane 824.61
    1,2-diethoxyethane 142.19
    benzonitrile 157.71
    trioctyl phosphate 46.9
    1-bromopropane 92.35
    gamma-valerolactone 448.58
    n-decanol 78.33
    triethyl phosphate 51.98
    4-methyl-2-pentanol 86.89
    propionitrile 196.3
    vinylene carbonate 206.68
    1,1,2-trichlorotrifluoroethane 400.66
    DMS 101.13
    cumene 46.96
    2-octanol 98.64
    2-hexanone 112.21
    octyl acetate 71.97
    limonene 64.43
    1,2-dimethoxyethane 354.37
    ethyl orthosilicate 53.3
    tributyl phosphate 47.98
    diacetone alcohol 153.84
    N,N-dimethylaniline 130.79
    acrylonitrile 282.24
    aniline 156.0
    1,3-propanediol 354.54
    bromobenzene 78.3
    dibromomethane 210.38
    1,1,2,2-tetrachloroethane 276.84
    2-methyl-cyclohexyl acetate 77.4
    tetrabutyl urea 69.47
    diisobutyl methanol 50.47
    2-phenylethanol 129.62
    styrene 61.96
    dioctyl adipate 76.1
    dimethyl sulfate 171.53
    ethyl butyrate 73.67
    methyl lactate 162.58
    butyl lactate 106.33
    diethyl carbonate 55.52
    propanediol butyl ether 235.34
    triethyl orthoformate 64.51
    p-tert-butyltoluene 45.65
    methyl 4-tert-butylbenzoate 136.4
    morpholine 364.82
    tert-butylamine 151.79
    n-dodecanol 57.06
    dimethoxymethane 281.63
    ethylene carbonate 147.63
    cyrene 171.34
    2-ethoxyethyl acetate 139.92
    2-ethylhexyl acetate 57.79
    1,2,4-trichlorobenzene 148.26
    4-methylpyridine 228.28
    dibutyl ether 84.12
    2,6-dimethyl-4-heptanol 50.47
    DEF 221.43
    dimethyl isosorbide 207.13
    tetrachloroethylene 259.33
    eugenol 174.09
    triacetin 156.81
    span 80 158.15
    1,4-butanediol 179.92
    1,1-dichloroethane 170.74
    2-methyl-1-pentanol 133.27
    methyl formate 359.8
    2-methyl-1-butanol 174.12
    n-decane 22.16
    butyronitrile 173.4
    3,7-dimethyl-1-octanol 90.5
    1-chlorooctane 64.74
    1-chlorotetradecane 25.19
    n-nonane 22.06
    undecane 15.86
    tert-butylcyclohexane 21.17
    cyclooctane 15.35
    cyclopentanol 216.69
    tetrahydropyran 196.23
    tert-amyl methyl ether 120.2
    2,5,8-trioxanonane 279.54
    1-hexene 63.68
    2-isopropoxyethanol 210.24
    2,2,2-trifluoroethanol 412.99
    methyl butyrate 117.98

    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