Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F0033K8CXM
EPA CompTox DTXSID3062863

Structure

InChI Key KBVDUUXRXJTAJC-UHFFFAOYSA-N
Smiles Brc1ccc(Br)s1
InChI
InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2Br2S1
Molecular Weight 239.82
AlogP 3.27
Hydrogen Bond Acceptor 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3141-27-3
NORMAN SUSDAT
FDA SRS F0033K8CXM
PubChem 18453
ChemSpider 6757.0