Basic information
- CAS
66633-76-9- Standard SMILES
COC(=O)C1=C(C(=O)OC)P2(C)(C)N(C)C(=S)N2C1(c1ccccc1)c1ccccc1- InChIKey
TWZHTYKUJLTCIK-UHFFFAOYSA-N- Molecular formula
- C23H25N2O4PS
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.12726545
Names & identifiers
- Preferred name
- 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
- 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
Names & synonyms
NSC35515066633-76-9DTXSID80320112NSC-355150Dimethyl 5,5,6-trimethyl-2,2-diphenyl-7-sulfanylidene-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylatedimethyl 5,5,6-trimethyl-2,2-diphenyl-7-thioxo-1,6-diaza-5$l^{5}-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylateDimethyl 5,5,6-trimethyl-2,2-diphenyl-7-thioxo-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
Database identifiers
- CAS
66633-76-9- PubChem CID
- 337377
- DTXSID
DTXSID80320112
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 825
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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