AC1L7LKZ
dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-diaza-5λ5-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
Also Known As: dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-di|dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-diaza-5|Dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate|DIMETHYL 5,5,6-TRIMETHYL-2,2-DIPHENYL-7-SULFANYLIDENE-1,6-DIAZA-5-PHOSPHABICYCLO[3.2.0]HEPT-3-ENE-3,4-DICARBOXYLATE|dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-thioxo-1,6-diaza-5$l^{5}-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate|Dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-thioxo-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
| Molecular Formula | C23H25N2O4PS |
|---|---|
| Molecular Weight | 456.12726 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.12726 |
| Monoisotopic Mass | 456.12726 |
| Heavy Atoms | 31 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 66633-76-9 |
|---|---|
| SMILES | CN1C(=S)N2P1(C(=C(C2(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C(=O)OC)(C)C |
| InChIKey | TWZHTYKUJLTCIK-UHFFFAOYSA-N |
Product Overview
AC1L7LKZ (CAS 66633-76-9), with molecular formula C23H25N2O4PS and molecular weight 456.12726 g/mol. IUPAC: dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-diaza-5λ5-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate.
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