Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M8U5Q5R3SA
EPA CompTox DTXSID50177559

Structure

InChI Key MARYDOMJDFATPK-UHFFFAOYSA-N
Smiles Oc1ccc[nH]c1=S
InChI
InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1O1S1
Molecular Weight 127.01
AlogP 1.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 33.12
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 23003-22-7
NORMAN SUSDAT
FDA SRS M8U5Q5R3SA
PubChem 2723947
ChemSpider 2006124.0