Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8Z6UA8V7WN
EPA CompTox DTXSID1062336

Structure

InChI Key JUIQOABNSLTJSW-UHFFFAOYSA-N
Smiles CC1=NCCS1
InChI
InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1S1
Molecular Weight 101.03
AlogP 1.15
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.36
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2346-00-1
NORMAN SUSDAT
FDA SRS 8Z6UA8V7WN
PubChem 16867
ChemSpider 15985.0