AC1L5OL0
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;4-phenylbenzenesulfonic acid
Also Known As: biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)|2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone,4-|2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone,4-phenylbenzenesulfonic acid|2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone; 4-phenylbenzenesulfonic acid|Biphenyl-4-sulfonic acid-2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)|[1,1'-Biphenyl]-4-sulfonic acid--2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-1-phenylethan-1-one (1/1)
| Molecular Formula | C23H22N2O4S2 |
|---|---|
| Molecular Weight | 454.1021 g/mol |
| LogP | 4.162 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1021 |
| Monoisotopic Mass | 454.1021 |
| Heavy Atoms | 31 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 70786-69-5 |
|---|---|
| SMILES | C1CN=C(N1)SCC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | NCVKJZGUXQGENV-UHFFFAOYSA-N |
Product Overview
AC1L5OL0 (CAS 70786-69-5), with molecular formula C23H22N2O4S2 and molecular weight 454.1021 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;4-phenylbenzenesulfonic acid.
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