Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N2F423BE79
EPA CompTox DTXSID20170815

Structure

InChI Key SLDBAXYJAIRQMX-UHFFFAOYSA-N
Smiles CCc1cscc1
InChI
InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8S1
Molecular Weight 112.03
AlogP 2.31
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1795-01-3
NORMAN SUSDAT
FDA SRS N2F423BE79
PubChem 74530
ChemSpider 67111.0