Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8CTS9HJ7L6
EPA CompTox DTXSID8060084

Structure

InChI Key OHZAHWOAMVVGEL-UHFFFAOYSA-N
Smiles S1C=CC=C1C=2SC=CC2
InChI
InChI=1/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6S2
Molecular Weight 165.99
AlogP 3.48
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 492-97-7
NORMAN SUSDAT
FDA SRS 8CTS9HJ7L6
PubChem 68120