Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7115JAP77A
EPA CompTox DTXSID3060291

Structure

InChI Key XQQBUAPQHNYYRS-UHFFFAOYSA-N
Smiles Cc1cccs1
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6S1
Molecular Weight 98.02
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 554-14-3
NORMAN SUSDAT
FDA SRS 7115JAP77A
PubChem 11126
ChemSpider 21168808.0