Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII ZC6HWF5QCG

Structure

InChI Key YFXFDZKYCRAMCM-UHFFFAOYSA-N
Smiles [Br-].NCCSC(=[NH2+])N
InChI
InChI=1/C3H9N3S.BrH/c4-1-2-7-3(5)6;/h1-2,4H2,(H3,5,6);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H10BrN3S
Molecular Weight 198.98
AlogP 0.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 75.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2141-04-0
NORMAN SUSDAT
FDA SRS ZC6HWF5QCG