Basic information
- CAS
198767-47-4- Standard SMILES
O=C1c2ccccc2OP(=S)(c2ccccc2)N1c1ccccc1- InChIKey
MKRMHWFRLHFZHI-UHFFFAOYSA-N- Molecular formula
- C19H14NO2PS
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.04828686
Names & identifiers
- Preferred name
- 2,3-Diphenyl-2-sulfanylidene-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinin-4-one
- IUPAC
- 2,3-diphenyl-2-sulfanylidene-1,3,2λ5-benzoxazaphosphinin-4-one
Names & synonyms
198767-47-4DTXSID009417222,3-Diphenyl-2-sulfanylidene-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinin-4-oneRefChem:1059499DTXCID6013701472,3-Diphenyl-2,3-dihydro-4H-1,3,2-benzoxazaphosphorin-4-one 2-sulfide4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2,3-diphenyl-, 2-sulfide
Database identifiers
- CAS
198767-47-4- PubChem CID
- 3075715
- DTXSID
DTXSID00941722- Nikkaji
- J892.038I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…