Basic information
- CAS
81044-80-6- Standard SMILES
CC(=O)CSCP(=O)(c1ccccc1)c1ccccc1- InChIKey
BXRWIDTUWGDEAT-UHFFFAOYSA-N- Molecular formula
- C16H17O2PS
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.06868795
Names & identifiers
- Preferred name
- 1-(Diphenylphosphorylmethylsulfanyl)propan-2-one
- IUPAC
- 1-(diphenylphosphorylmethylsulfanyl)propan-2-one
Names & synonyms
81044-80-61-(diphenylphosphorylmethylsulfanyl)propan-2-oneNSC358777DTXSID40320390NSC-3587771-{[(Diphenylphosphoryl)methyl]sulfanyl}propan-2-one
Database identifiers
- CAS
81044-80-6- PubChem CID
- 338071
- DTXSID
DTXSID40320390
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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