Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester
Basic information
- CAS
3309-71-5- Standard SMILES
CCOP(C)(=S)Oc1ccc(S(=O)(=O)CC)cc1- InChIKey
NOEYSRSSMYSCLW-UHFFFAOYSA-N- Molecular formula
- C11H17O4PS2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.03058836
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester
- IUPAC
- ethoxy-(4-ethylsulfonylphenoxy)-methyl-sulfanylidene-λ5-phosphane
- English name
- Methylthiophosphonic acid O-ethyl O-[p-(ethylsulfonyl)phenyl] ester
- Molecular formula
- C11H17O4PS2
- Molecular weight
- 308.35
Names & synonyms
Bayer 307503309-71-5O-Ethyl O-(4-(ethylsulfonyl)phenyl) methylphosphonothioateENT 25,617Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) esterRefChem:370724DTXSID80954719Methylthiophosphonic acid O-ethyl O-[p-(ethylsulfonyl)phenyl] esterO-[4-(Ethanesulfonyl)phenyl] O-ethyl methylphosphonothioateENT-25617Bayer-30750Phosphonothioic acid, methyl-, O-ethyl O-[4-(ethylsulfonyl)phenyl] ester (9CI)
Database identifiers
- CAS
3309-71-5- PubChem CID
- 76815
- DTXSID
DTXSID80954719- Nikkaji
- J53.782I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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