Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KSE5X2C0RX
EPA CompTox DTXSID7061691

Structure

InChI Key ZBUUHLDYMKTVLT-UHFFFAOYSA-N
Smiles NN1C(=O)CSC1=S
InChI
InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2O1S2
Molecular Weight 147.98
AlogP -0.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.33
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1438-16-0
NORMAN SUSDAT
FDA SRS KSE5X2C0RX
PubChem 74033
ChemSpider 66652.0