Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10976782

Structure

InChI Key NUSVDASTCPBUIP-UHFFFAOYSA-N
Smiles Br.BrC=1SC(=NC1)N
InChI
InChI=1/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3BrN2S
Molecular Weight 257.85
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 39.64
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 61296-22-8
NORMAN SUSDAT