Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H7RAG4X25D
EPA CompTox DTXSID50173773

Structure

InChI Key QFGRBBWYHIYNIB-UHFFFAOYSA-N
Smiles S(/C1=N/CCS1)C
InChI
InChI=1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1S2
Molecular Weight 133.0
AlogP 1.45
Hydrogen Bond Acceptor 3.0
Polar Surface Area 12.36
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 19975-56-5
NORMAN SUSDAT
FDA SRS H7RAG4X25D
PubChem 88324
ChemSpider 79682.0