Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A3ERZ734SN
EPA CompTox DTXSID3061390

Structure

InChI Key KMSNYNIWEORQDJ-UHFFFAOYSA-N
Smiles O=C1CCCS1
InChI
InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O1S1
Molecular Weight 102.01
AlogP 1.04
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1003-10-7
NORMAN SUSDAT
FDA SRS A3ERZ734SN
PubChem 13852
ChemSpider 13252.0