Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80177800

Structure

InChI Key YCLDXRHGQVDVJR-UHFFFAOYSA-N
Smiles O=C(N)NC(=S)N
InChI
InChI=1/C2H5N3OS/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N3OS
Molecular Weight 119.02
AlogP -0.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Polar Surface Area 79.96
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 23228-74-2
NORMAN SUSDAT