Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 82479467Q1
EPA CompTox DTXSID50172120

Structure

InChI Key QZVHYFUVMQIGGM-UHFFFAOYSA-N
Smiles CCCCCCc1cccs1
InChI
InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16S1
Molecular Weight 168.1
AlogP 3.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18794-77-9
NORMAN SUSDAT
FDA SRS 82479467Q1
PubChem 87793
ChemSpider 79205.0