Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7DEN7LL3QR
EPA CompTox DTXSID60166131

Structure

InChI Key MWCRBRYMIOQZAQ-UHFFFAOYSA-N
Smiles CC1=NC(C)(C)SC1
InChI
InChI=1S/C6H11NS/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1S1
Molecular Weight 129.06
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.36
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 15679-23-9
NORMAN SUSDAT
FDA SRS 7DEN7LL3QR
PubChem 85055
ChemSpider 76720.0