Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EE982KT952

Structure

InChI Key WHMDPDGBKYUEMW-UHFFFAOYSA-N
Smiles S=c1[nH]cccc1
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1S1
Molecular Weight 111.01
AlogP 1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 73018-10-7
NORMAN SUSDAT
FDA SRS EE982KT952
PubChem 2723698
ChemSpider 2005897.0