Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X6AYT55P7A
EPA CompTox DTXSID601020140

Structure

InChI Key ORKOECRFEGYATC-UHFFFAOYSA-N
Smiles CSSSCC1=CC=CO1
InChI
InChI=1S/C6H8OS3/c1-8-10-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O1S3
Molecular Weight 191.97
AlogP 3.44
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 13.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 66169-00-4
NORMAN SUSDAT
FDA SRS X6AYT55P7A