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S-Methyl methanesulfonothioate

CAT: 0931-T65309-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T65309-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2949-92-0
Target
Endogenous Metabolite, Antibacterial
Related Pathways
Microbiology/Virology, Metabolism
Purity
0.9959
Bioactivity
S-Methyl methanesulfonothioate is a biological raw material with cytotoxicity and potential antimicrobial activity for the study of Pseudomonas aeruginosa infections.
Smiles
CSS(C)(=O)=O
Molecular Formula
C2H6O2S2
Molecular Weight
126.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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