AC1LG2P9
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile
Also Known As: Oprea1_263784|Oprea1_413924|BAS 00667068|AB00077655-01|2-Thioxo-4-(4-chlorophenyl)-5-oxo-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydro-quinoline-3-carbonitrile|4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C18H15ClN2OS |
|---|---|
| Molecular Weight | 342.05936 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.05936 |
| Monoisotopic Mass | 342.05936 |
| Heavy Atoms | 23 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 5263-34-3 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Cl)C |
| InChIKey | UCEIHDIAIDNTFO-UHFFFAOYSA-N |
Product Overview
AC1LG2P9 (CAS 5263-34-3), with molecular formula C18H15ClN2OS and molecular weight 342.05936 g/mol. IUPAC: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile.