Soluble in water: 10mg/L (25oC) ,insoluble in most organic solvents
【Solubilities】
Soluble in water: 10mg/L (25oC) ,insoluble in most organic solvents
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:431.44408 [g/mol]
Molecular Formula:C14H17N5O7S2
XLogP3-AA:0.7
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:7
Tautomer Count:5
Exact Mass:431.056939
MonoIsotopic Mass:431.056939
Topological Polar Surface Area:183
Heavy Atom Count:28
Formal Charge:0
Complexity:722
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:7
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:132
Safety and Handling
【Safety】
Moderately toxic by skin contact route. Low toxicity by ingestion and inhalation routes. When heated to decomposition it emits toxic vapors of NOx and SOx.