Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z6003L44MN
EPA CompTox DTXSID6021294

Structure

InChI Key MBDNRNMVTZADMQ-UHFFFAOYSA-N
Smiles O=S1(=O)CC=CC1
InChI
InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O2S1
Molecular Weight 118.01
AlogP -0.03
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 77-79-2
NORMAN SUSDAT
FDA SRS Z6003L44MN
PubChem 6498
ChemSpider 6253.0