Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30975156

Structure

InChI Key UEEQZFBEGRGQGN-UHFFFAOYSA-N
Smiles O=C1C(=NNC(S)N1N)C(C)(C)C
InChI
InChI=1/C7H14N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h6,10,13H,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N4OS
Molecular Weight 202.09
AlogP -0.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 70.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 59742-87-9
NORMAN SUSDAT
PubChem 108824