Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RX786XKM7J
EPA CompTox DTXSID20188399

Structure

InChI Key KBWHYRUAHXHHFO-UHFFFAOYSA-N
Smiles BrCc1cscc1
InChI
InChI=1S/C5H5BrS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Br1S1
Molecular Weight 175.93
AlogP 2.64
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 34846-44-1
NORMAN SUSDAT
FDA SRS RX786XKM7J
PubChem 520703
ChemSpider 86974.0