Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SZ5U1S741V
EPA CompTox DTXSID1059028

Structure

InChI Key RFCQDOVPMUSZMN-UHFFFAOYSA-N
Smiles Sc1ccc2ccccc2c1
InChI
InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8S1
Molecular Weight 160.03
AlogP 3.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 91-60-1
NORMAN SUSDAT
FDA SRS SZ5U1S741V
PubChem 7058
ChemSpider 6791.0