Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2903Y990SM
EPA CompTox DTXSID0061585

Structure

InChI Key WRJWRGBVPUUDLA-UHFFFAOYSA-N
Smiles ClS(=O)(=O)N=C=O
InChI
InChI=1S/CClNO3S/c2-7(5,6)3-1-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C1Cl1N1O3S1
Molecular Weight 140.93
AlogP -0.19
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 63.57
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1189-71-5
NORMAN SUSDAT
FDA SRS 2903Y990SM
PubChem 70918
ChemSpider 64080.0