Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID5067219

Structure

InChI Key RGVYUPIYFIVQDS-UHFFFAOYSA-N
Smiles Cl.CN1SC(=CC1=O)Cl
InChI
InChI=1/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl2NOS
Molecular Weight 184.95
AlogP 1.52
Hydrogen Bond Acceptor 3.0
Polar Surface Area 22.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 26530-03-0
NORMAN SUSDAT
PubChem 14231888
ChemSpider 105277.0