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

Structure

InChI Key FHTDDANQIMVWKZ-UHFFFAOYSA-N
Smiles SC=1C=CN=CC1
InChI
InChI=1/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5NS
Molecular Weight 111.01
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4556-23-4
NORMAN SUSDAT