Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2UF76U4DED
EPA CompTox DTXSID5061532

Structure

InChI Key MZSJGCPBOVTKHR-UHFFFAOYSA-N
Smiles N(=C=S)C(CCCC1)C1
InChI
InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N1S1
Molecular Weight 141.06
AlogP 2.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.36
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1122-82-3
NORMAN SUSDAT
FDA SRS 2UF76U4DED
PubChem 14289
ChemSpider 13651.0