Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RHH0RIO9KF
EPA CompTox DTXSID30210473

Structure

InChI Key NKOPQOSBROLOFP-UHFFFAOYSA-N
Smiles Cc1n[nH]c(=S)[nH]c1=O
InChI
InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N3O1S1
Molecular Weight 143.02
AlogP 0.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Polar Surface Area 58.9
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 615-76-9
NORMAN SUSDAT
FDA SRS RHH0RIO9KF
PubChem 1263666
ChemSpider 1061203.0