2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate;dihydrobromide


Chemical Name: 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate;dihydrobromide
CAS Number: 157254-60-9
Product Number: AG001PBA(AGN-PC-00IQV6)
Synonyms:
MDL No: MFCD00792602
Molecular Formula: C12H20Br2N4S2
Molecular Weight: 444.2520

Identification/Properties


Computed Properties
Molecular Weight:
444.248g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
443.948g/mol
Monoisotopic Mass:
441.95g/mol
Topological Polar Surface Area:
150A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
247
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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