Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z4KJ38KVA6
EPA CompTox DTXSID0063026

Structure

InChI Key ROIMNSWDOJCBFR-UHFFFAOYSA-N
Smiles Ic1cccs1
InChI
InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3I1S1
Molecular Weight 209.9
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3437-95-4
NORMAN SUSDAT
FDA SRS Z4KJ38KVA6
PubChem 18921
ChemSpider 17866.0