3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide


Chemical Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide
CAS Number: 145231-35-2
Product Number: AG001KP2(AGN-PC-004I2O)
Synonyms:
MDL No:
Molecular Formula: C14H19Br2ClN4S
Molecular Weight: 470.6535

Identification/Properties


Properties
MP:
205℃ (lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
470.652g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
469.937g/mol
Monoisotopic Mass:
467.939g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
306
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:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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