Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T8HCV9X3LJ
EPA CompTox DTXSID50157937

Structure

InChI Key UQRLAGGSKUVKMJ-UHFFFAOYSA-N
Smiles CC(C)CSc1ccccc1
InChI
InChI=1S/C10H14S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14S1
Molecular Weight 166.08
AlogP 3.43
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13307-61-4
NORMAN SUSDAT
FDA SRS T8HCV9X3LJ
PubChem 83327
ChemSpider 75187.0