Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9027811

Structure

InChI Key KFHUWANHHNTMEK-UHFFFAOYSA-N
Smiles S=C(S)NN.NN
InChI
InChI=1/CH4N2S2.H4N2/c2-3-1(4)5;1-2/h2H2,(H2,3,4,5);1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula CH4N2S2
Molecular Weight 140.02
AlogP -1.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Polar Surface Area 90.42
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 20469-71-0
NORMAN SUSDAT