Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID80216581

Structure

InChI Key IDEZECZCLMOIJN-ONEGZZNKSA-N
Smiles [O-][N+](=O)C=C1/NCCS1
InChI
InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2/b4-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2O2S
Molecular Weight 146.01
AlogP 0.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 55.17
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 66357-40-2
NORMAN SUSDAT