Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GFF929NUW7
EPA CompTox DTXSID4061389

Structure

InChI Key TUCRZHGAIRVWTI-UHFFFAOYSA-N
Smiles Brc1cccs1
InChI
InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Br1S1
Molecular Weight 161.91
AlogP 2.51
Hydrogen Bond Acceptor 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1003-09-4
NORMAN SUSDAT
FDA SRS GFF929NUW7
PubChem 13851
ChemSpider 13251.0