Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7075343

Structure

InChI Key FKKJJPMGAWGYPN-UHFFFAOYSA-N
Smiles [NH3+]Cc1cccs1
InChI
InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1S1
Molecular Weight 113.03
AlogP 1.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 27757-85-3
NORMAN SUSDAT
PubChem 34005
ChemSpider 31345.0