Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9J2JT725UE
EPA CompTox DTXSID90185335

Structure

InChI Key ZDXQFDMBZUQHOM-UHFFFAOYSA-N
Smiles Brc1c(Br)c(Br)cs1
InChI
InChI=1S/C4HBr3S/c5-2-1-8-4(7)3(2)6/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H1Br3S1
Molecular Weight 317.73
AlogP 4.04
Hydrogen Bond Acceptor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3141-25-1
NORMAN SUSDAT
FDA SRS 9J2JT725UE
PubChem 76593
ChemSpider 69058.0