Methyl methanethiosulfonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2949-92-0

    Molecular formula
    C2H6O2S2

    SMILES
    CSS(=O)(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 78.29%
    Onion 71.52%
    Garlic 64.48%
    Alliaceous 58.83%
    Roasted 56.86%
    Pungent 47.94%
    Cooked 46.47%
    Savory 43.41%
    Meaty 39.06%
    Burnt 30.34%

     

    Flavor
    Sulfur 41.1%
    Bitter 41.01%
    Sulfurous 37.19%
    Mustard 33.61%
    Garlic 31.49%
    Pungent 25.65%
    Cooked 25.52%
    Onion 25.1%
    Burnt 23.84%
    Cabbage 23.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    10.79 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 266.00 to 267.00 °C. @ 760.00 mm Hg

    Flash point

    • 97.5 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • 2949-92-0
    • S-Methyl methanethiosulfonate
    • Methyl methanethiosulfonate
    • Methyl methanethiolsulfonate
    • S-Methyl methanesulfonothioate
    • Methanesulfonothioic acid, S-methyl ester
    • s-methyl methanethiolsulfonate
    • methylsulfonylsulfanylmethane
    • S-Methyl methanethiosulphonate
    • Methyl methanesulfonothioate
    • Methanethiosulfonic Acid S-Methyl Ester
    • S-Methyl thiomethanesulfonate
    • (METHANESULFONYLSULFANYL)METHANE
    • dimethyl thiosulfonate
    • CCRIS 7217
    • methylmethanethiosulfonate
    • EINECS 220-970-0
    • NSC 21545
    • BRN 1446059
    • METHANESULFONIC ACID, THIO-, S-METHYL ESTER
    • CHEBI:74357
    • UNII-0906Z2356U
    • METHYL METHANETHIO-SULFONATE
    • methyl methanethiolsulfate
    • NSC-21545
    • s-methyl methylthiosulfonate
    • Methanethiosulfonic acid, S-methyl ester
    • 0906Z2356U
    • DTXSID8062739
    • 4-04-00-00031 (Beilstein Handbook Reference)
    • NSC21545
    • METHYL METHANETHIOSULFONATE, S-
    • METHYL METHANETHIOSULPHONATE, S-
    • MFCD00007565
    • s-methylmethanethiosulfonate
    • MeSSO2Me
    • methyl methanethiosulphonate
    • SMethyl methanethiosulfonate
    • SMethyl thiomethanesulfonate
    • methyl methanethiol sulfonate
    • methyl methanethiol-sulfonate
    • SMethyl methanesulfonothioate
    • SMethyl methanethiosulphonate
    • methylsulfonylsulfanyl-methane
    • s-methyl methanethionsulfonate
    • SCHEMBL136797
    • Methyl methanethiosulfonic acid
    • Methyl methanethiolsulfonic acid
    • Methyl methanethiosulphonic acid
    • CHEMBL1236925
    • DTXCID3038012
    • Methyl methanethiolsulphonic acid
    • S-Methyl methanethiosulfonic acid
    • S-Methyl methanethiosulphonic acid
    • S-Methyl methanethiosulfonate, 97%
    • BBL104000
    • STL557811
    • AKOS006221195
    • CS-W004461
    • HY-W004461
    • Methanesulfonothioic acid, Smethyl ester
    • Methanesulfonic acid, thio, Smethyl ester
    • MS-20744
    • PD195134
    • A5499
    • M1382
    • NS00022002
    • EN300-132006
    • H10854
    • S-Methyl methanethiosulfonate, analytical standard
    • Q27144634
    • S-Methyl methanethiosulfonate, purum, >=98.0% (GC)
    • Methyl methanethiolsulfonate;S-Methyl methanethiolsulfonate

  • Applications

    MMTS (CAS 2949-92-0) is used as an electrophilic sulfonylating reagent to introduce methylthiosulfonyl groups into thiols, serving as an important intermediate in organic synthesis for preparing thiosulfonate derivatives; in protein/biochemical workflows it is commonly employed to modify cysteine residues by forming S-methylthiosulfonate adducts, acting as a protective or labeling reagent; in analytical chemistry it is used for thiol derivatization to enable selective detection and quantification; in polymer and coatings chemistry it enables functionalization of thiol-containing polymers or monomers and can participate in thiosulfonate-based crosslinking or post-polymerization modification; and in pharmaceutical or chemical manufacturing contexts it can be encountered as an intermediate or coupling partner, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 164.32
    methanol 449.39
    isopropanol 95.83
    water 275.56
    ethyl acetate 110.08
    n-propanol 96.47
    acetone 294.67
    n-butanol 72.07
    acetonitrile 316.25
    DMF 700.8
    toluene 28.01
    isobutanol 61.79
    1,4-dioxane 260.75
    methyl acetate 221.2
    THF 193.18
    2-butanone 188.19
    n-pentanol 53.56
    sec-butanol 83.32
    n-hexane 8.86
    ethylene glycol 127.03
    NMP 517.52
    cyclohexane 12.75
    DMSO 400.76
    n-butyl acetate 40.84
    n-octanol 53.48
    chloroform 162.44
    n-propyl acetate 65.48
    acetic acid 265.61
    dichloromethane 186.09
    cyclohexanone 172.88
    propylene glycol 104.7
    isopropyl acetate 62.9
    DMAc 621.96
    2-ethoxyethanol 203.11
    isopentanol 52.9
    n-heptane 8.34
    ethyl formate 169.92
    1,2-dichloroethane 107.59
    n-hexanol 41.92
    2-methoxyethanol 391.81
    isobutyl acetate 32.91
    tetrachloromethane 44.45
    n-pentyl acetate 47.88
    transcutol 356.04
    n-heptanol 39.74
    ethylbenzene 22.63
    MIBK 60.86
    2-propoxyethanol 122.24
    tert-butanol 99.26
    MTBE 79.15
    2-butoxyethanol 95.83
    propionic acid 139.45
    o-xylene 39.12
    formic acid 401.85
    diethyl ether 86.31
    m-xylene 24.24
    p-xylene 35.25
    chlorobenzene 52.84
    dimethyl carbonate 102.69
    n-octane 5.64
    formamide 721.3
    cyclopentanone 234.45
    2-pentanone 105.59
    anisole 105.79
    cyclopentyl methyl ether 84.81
    gamma-butyrolactone 274.72
    1-methoxy-2-propanol 212.4
    pyridine 136.11
    3-pentanone 107.83
    furfural 420.73
    n-dodecane 5.38
    diethylene glycol 147.49
    diisopropyl ether 25.43
    tert-amyl alcohol 97.86
    acetylacetone 183.36
    n-hexadecane 5.71
    acetophenone 117.65
    methyl propionate 127.19
    isopentyl acetate 35.51
    trichloroethylene 183.86
    n-nonanol 48.11
    cyclohexanol 60.98
    benzyl alcohol 79.5
    2-ethylhexanol 27.76
    isooctanol 30.69
    dipropyl ether 35.9
    1,2-dichlorobenzene 69.09
    ethyl lactate 57.98
    propylene carbonate 144.69
    n-methylformamide 430.55
    2-pentanol 49.49
    n-pentane 9.51
    1-propoxy-2-propanol 74.14
    1-methoxy-2-propyl acetate 69.94
    2-(2-methoxypropoxy) propanol 106.97
    mesitylene 19.26
    ε-caprolactone 144.1
    p-cymene 20.69
    epichlorohydrin 216.11
    1,1,1-trichloroethane 80.92
    2-aminoethanol 160.09
    morpholine-4-carbaldehyde 525.4
    sulfolane 298.61
    2,2,4-trimethylpentane 6.94
    2-methyltetrahydrofuran 123.86
    n-hexyl acetate 67.78
    isooctane 3.48
    2-(2-butoxyethoxy)ethanol 143.78
    sec-butyl acetate 43.76
    tert-butyl acetate 65.29
    decalin 9.29
    glycerin 189.91
    diglyme 297.34
    acrylic acid 165.81
    isopropyl myristate 30.25
    n-butyric acid 106.34
    acetyl acetate 100.41
    di(2-ethylhexyl) phthalate 35.32
    ethyl propionate 66.6
    nitromethane 772.08
    1,2-diethoxyethane 92.8
    benzonitrile 94.38
    trioctyl phosphate 25.03
    1-bromopropane 44.39
    gamma-valerolactone 399.68
    n-decanol 35.5
    triethyl phosphate 35.3
    4-methyl-2-pentanol 30.67
    propionitrile 124.14
    vinylene carbonate 154.41
    1,1,2-trichlorotrifluoroethane 241.79
    DMS 83.0
    cumene 21.17
    2-octanol 32.59
    2-hexanone 75.59
    octyl acetate 40.56
    limonene 30.15
    1,2-dimethoxyethane 347.29
    ethyl orthosilicate 32.9
    tributyl phosphate 28.99
    diacetone alcohol 105.18
    N,N-dimethylaniline 86.25
    acrylonitrile 206.35
    aniline 70.19
    1,3-propanediol 141.19
    bromobenzene 40.73
    dibromomethane 95.44
    1,1,2,2-tetrachloroethane 149.5
    2-methyl-cyclohexyl acetate 45.06
    tetrabutyl urea 47.46
    diisobutyl methanol 19.99
    2-phenylethanol 57.24
    styrene 30.08
    dioctyl adipate 49.53
    dimethyl sulfate 192.19
    ethyl butyrate 44.35
    methyl lactate 117.71
    butyl lactate 51.14
    diethyl carbonate 38.31
    propanediol butyl ether 112.09
    triethyl orthoformate 38.01
    p-tert-butyltoluene 19.76
    methyl 4-tert-butylbenzoate 83.17
    morpholine 228.44
    tert-butylamine 59.77
    n-dodecanol 27.0
    dimethoxymethane 275.85
    ethylene carbonate 112.27
    cyrene 130.32
    2-ethoxyethyl acetate 85.29
    2-ethylhexyl acetate 30.46
    1,2,4-trichlorobenzene 85.11
    4-methylpyridine 132.87
    dibutyl ether 43.16
    2,6-dimethyl-4-heptanol 19.99
    DEF 195.58
    dimethyl isosorbide 146.55
    tetrachloroethylene 120.2
    eugenol 101.97
    triacetin 109.51
    span 80 78.42
    1,4-butanediol 71.98
    1,1-dichloroethane 84.19
    2-methyl-1-pentanol 47.1
    methyl formate 394.13
    2-methyl-1-butanol 55.88
    n-decane 8.98
    butyronitrile 90.61
    3,7-dimethyl-1-octanol 42.1
    1-chlorooctane 26.94
    1-chlorotetradecane 11.78
    n-nonane 8.39
    undecane 6.57
    tert-butylcyclohexane 7.66
    cyclooctane 5.87
    cyclopentanol 81.05
    tetrahydropyran 104.37
    tert-amyl methyl ether 75.2
    2,5,8-trioxanonane 216.23
    1-hexene 21.81
    2-isopropoxyethanol 111.79
    2,2,2-trifluoroethanol 229.98
    methyl butyrate 94.39

    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