Propaphos sulfone
Basic information
- CAS
57511-63-4- Standard SMILES
CCCOP(=O)(OCCC)Oc1ccc(S(C)(=O)=O)cc1- InChIKey
OXMCGIWRESILLU-UHFFFAOYSA-N- Molecular formula
- C13H21O6PS
- Average molar mass
- 336.34 g/mol
- Monoisotopic mass
- 336.07964656
Names & identifiers
- Preferred name
- Propaphos sulfone
- IUPAC
- (4-methylsulfonylphenyl) dipropyl phosphate
- English name
- PROPAPHOS SULFONE
- Molecular formula
- C13H21O6PS
- Molecular weight
- 336.34
Names & synonyms
Propaphos sulfone57511-63-4DTXSID00206121Phosphoric acid, 4-(methylsulfonyl)phenyl dipropyl esterRefChem:176389DTXCID00128612OXMCGIWRESILLU-UHFFFAOYSA-N(4-methylsulfonylphenyl) dipropyl phosphate4-(Methanesulfonyl)phenyl dipropyl phosphatePROPAPHOS SULFONE STANDARDPhosphoric acid 4-(methylsulfonyl)phenyldipropyl ester
Database identifiers
- CAS
57511-63-4- PubChem CID
- 3045250
- DTXSID
DTXSID00206121- Nikkaji
- J308.874J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Specific Gravity
- 0.806 · 0.806 (20/4℃)
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Compound notes
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