2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide
5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;dihydrobromide
Also Known As: Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide|1,5-Pentamethylene-bis-phenyl isothiuronium dihydrobromide|2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide|Carbamimidothioic acid, phenyl-, 1,5-pentanediyl ester, dihydrobromide|Pseudourea, 2,2'-pentamethylenebis(1-phenyl-2-thio-, dihydrobromide|N,N''-diphenyl-S,S'-hexanediyl-bis-isothiourea,dihydrobromide|Pseudourea, 2,2'-pentamethylenebis[1-phenyl-2-thio-, dihydrobromide|5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide
| Molecular Formula | C19H26Br2N4S2 |
|---|---|
| Molecular Weight | 531.9966 g/mol |
| LogP | 6.0717 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.9966 |
| Monoisotopic Mass | 531.9966 |
| Heavy Atoms | 27 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 856-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)SCCCCCSC(=NC2=CC=CC=C2)N.Br.Br |
| InChIKey | OGCYCSOSVUPJJY-UHFFFAOYSA-N |
Product Overview
2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide (CAS 856-51-9), with molecular formula C19H26Br2N4S2 and molecular weight 531.9966 g/mol. IUPAC: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;dihydrobromide.