Basic information
- CAS
66633-79-2- Standard SMILES
COC(=O)C1=C(C(=O)OC)P2(c3ccccc3)(c3ccccc3)N(C)C(=S)N2C1(c1ccccc1)c1ccccc1- InChIKey
YZNATRIOCJPECX-UHFFFAOYSA-N- Molecular formula
- C33H29N2O4PS
- Average molar mass
- 580.6 g/mol
- Monoisotopic mass
- 580.15856558
Names & identifiers
- Preferred name
- Dimethyl 6-methyl-2,2,5,5-tetraphenyl-7-sulfanylidene-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
- IUPAC
- dimethyl 6-methyl-2,2,5,5-tetraphenyl-7-sulfanylidene-1,6-diaza-5λ5-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
Names & synonyms
NSC35515166633-79-2DTXSID40320113NSC-355151Dimethyl 6-methyl-2,2,5,5-tetraphenyl-7-sulfanylidene-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylatedimethyl 6-methyl-2,2,5,5-tetraphenyl-7-thioxo-1,6-diaza-5$l^{5}-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylateDimethyl 6-methyl-2,2,5,5-tetraphenyl-7-thioxo-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate
Database identifiers
- CAS
66633-79-2- PubChem CID
- 337378
- DTXSID
DTXSID40320113
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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