Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FL7PF5FLM2
EPA CompTox DTXSID6061814

Structure

InChI Key ISXOBTBCNRIIQO-UHFFFAOYSA-N
Smiles C1CCS(=O)C1
InChI
InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O1S1
Molecular Weight 104.03
AlogP 0.53
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1600-44-8
NORMAN SUSDAT
FDA SRS FL7PF5FLM2
PubChem 1128
ChemSpider 1096.0