Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SV7R5HC44R
EPA CompTox DTXSID0061533

Structure

InChI Key FIOJWGRGPONADF-UHFFFAOYSA-N
Smiles O=S=Nc1ccccc1
InChI
InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5N1O1S1
Molecular Weight 139.01
AlogP 1.71
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.43
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 222851-56-1
NORMAN SUSDAT
FDA SRS SV7R5HC44R
PubChem 70739
ChemSpider 63904.0