Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII DCQ9S88703
EPA CompTox DTXSID6021749

Structure

InChI Key AGGKEGLBGGJEBZ-UHFFFAOYSA-N
Smiles O=S1(=O)N2CN3CN1CN(C2)S3(=O)=O
InChI
InChI=1S/C4H8N4O4S2/c9-13(10)5-1-6-3-8(13)4-7(2-5)14(6,11)12/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N4O4S2
Molecular Weight 240.0
AlogP -2.45
Hydrogen Bond Acceptor 4.0
Polar Surface Area 81.24
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 75-57-0
NORMAN SUSDAT
FDA SRS DCQ9S88703