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Methyl Methanethiosulfonate

CAT: 0024-sc-211882Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-211882Size:1 g
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CAS Number
2949-92-0

Chemical Information

S-Methyl methanethiosulfonate

S-methyl methanethiosulfonate is a sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol. It has a role as a metabolite. It is a sulfonic acid derivative and a thiosulfonate ester. It is functionally related to a methanethiol and a methanesulfonic acid.

CAS Number2949-92-0
PubChem CID18064
IUPAC Namemethylsulfonylsulfanylmethane
Molecular FormulaC2H6O2S2
Molecular Weight126.20
XLogP0
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity106
SMILES
CSS(=O)(=O)C
InChI
InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-Methyl methanethiosulfonate
CAS: 2949-92-0
CID: 18064
Formula: C2H6O2S2
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass125.98092178
Monoisotopic Mass125.98092178
Topological Polar Surface Area67.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2167304- (Trimethylammonium) methyl]benzyl Methanethiosulfonate Chloride
sc-214592Benzyl Methanethiosulfonate
sc-217946Colchicine Methanethiosulfonate
sc-211020Carboxymethyl Methanethiosulfonate
sc-212590Propargyl Methanethiosulfonate
sc-211372Dodecyl Methanethiosulfonate
sc-208395Sodium Methanethiosulfonate
sc-215144AHexadecyl Methanethiosulfonate
sc-280777Hexyl Methanethiosulfonate
sc-217783Bodipy Methanethiosulfonate

Alternative Products

CatalogName
TRC-M321500-100MGMethyl Methanethiosulfonate
MBS6108449-01Methyl Methanethiosulfonate-13C
MBS6095508-01Methyl Methanethiosulfonate (MMTS)
AR-N08460-01S-Methyl Methanethiosulfonate
TRC-M321502-100MGMethyl-13C Methanethiosulfonate
TRC-T795920-1G[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide
014762Imidazole-4-methyl Methanethiosulfonate Hydrochloride
MBS6096164-01[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide (MTSMT)
TRC-B413250-250MG[Bis(t-Boc)amino]methyl Methanethiosulfonate
TRC-T795915-10MG4-(Trimethylammonium)methyl]benzyl Methanethiosulfonate Chloride

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