Structural Complex
Chemical ID: Z22
IUPAC Name: S-methyl methanesulfonothioate
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C2 H6 O2 S2
Molecular weight: 126.198
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 0
Rotatable Bonds: 3
Heavy Atoms: 6
Systematic name
Program Version Descriptor
OpenEye OEToolkits 1.6.1 methylsulfanylsulfonylmethane
Chemical Descriptors
Type Program Version Descriptor
SMILES_CANONICAL CACTVS 3.352 CS[S](C)(=O)=O
SMILES CACTVS 3.352 CS[S](C)(=O)=O
SMILES_CANONICAL OpenEye OEToolkits 1.7.0 CSS(=O)(=O)C
SMILES OpenEye OEToolkits 1.7.0 CSS(=O)(=O)C
InChI InChI 1.03 InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey InChI 1.03 XYONNSVDNIRXKZ-UHFFFAOYSA-N
Chemical Database Mapping
Database Reference ID
PubChem 18064
ChEBI 74357
ZINC ZINC000004268917
SureChEMBL SCHEMBL136797
HMDB HMDB0031832
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