Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G818Z74YV0
EPA CompTox DTXSID2022129

Structure

InChI Key XCMISAPCWHTVNG-UHFFFAOYSA-N
Smiles Brc1cscc1
InChI
InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/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 872-31-1
NORMAN SUSDAT
FDA SRS G818Z74YV0
PubChem 13383
ChemSpider 12811.0