Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID40437977

Structure

InChI Key VKEVYOIDTOPARM-UHFFFAOYSA-N
Smiles O=S(=O)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C7H5NO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5NO2S
Molecular Weight 167.0
AlogP 0.94
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.93
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 24224-99-5
NORMAN SUSDAT
PubChem 10313279