Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

R4W

Summary
Name:1-methylsulfonylethane
Synonyms:trans-3,4-dihydroxysulfolane
ethyl methyl sulfone
Formula:C3 H8 O2 S
Formal charge:0
Formula weight:108.159 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-methylsulfonylethane

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChIKeyInChI1.03YBJCDTIWNDBNTM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](C)(=O)=O
SMILESCACTVS3.385CC[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCS(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7CCS(=O)(=O)C

246905

PDB entries from 2025-12-31

PDB statisticsPDBj update infoContact PDBjnumon