Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key JRNVQLOKVMWBFR-UHFFFAOYSA-N
Smiles SC=1C=CC=CC1S
InChI
InChI=1/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6S2
Molecular Weight 141.99
AlogP 2.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 17534-15-5
NORMAN SUSDAT
PubChem 69370