Molecular Weight:176.23822 [g/mol]
Molecular Formula:C9H8N2S
XLogP3:1.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:176.040819
MonoIsotopic Mass:176.040819
Topological Polar Surface Area:47.7
Heavy Atom Count:12
Formal Charge:0
Complexity:225
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1