Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII C8493J9B36
EPA CompTox DTXSID50189516

Structure

InChI Key MYNIYCGOBKAQAO-UHFFFAOYSA-N
Smiles OS(O)(=O)=O.C1CNCCN1
InChI
InChI=1S/C4H10N2.H2O4S/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12N2O4S
Molecular Weight 184.05
AlogP -1.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 98.66
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3597-26-0
NORMAN SUSDAT
FDA SRS C8493J9B36