Basic information
- CAS
6587-45-7- Standard SMILES
CCOP(=S)(CC)Oc1ccc(S(C)=O)cc1- InChIKey
YNWMEIIUHWBTKK-UHFFFAOYSA-N- Molecular formula
- C11H17O3PS2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.03567374
Names & identifiers
- Preferred name
- Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester
- IUPAC
- ethoxy-ethyl-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- Ethylthiophosphonic acid O-ethyl O-[4-(methylsulfinyl)phenyl] ester
- Molecular formula
- C11H17O3PS2
- Molecular weight
- 292.35
Names & synonyms
Bayer 48792BAY 48792ENT 27,277AI3-272776587-45-7Phosphonothioic acid, ethyl-, O-ethyl O-(4-(methylsulfinyl)phenyl) esterO-Ethyl O-(4-(methylsulfinyl)phenyl)ethylphosphonothioatePhosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) esterRefChem:370716DTXSID30984349O-Ethyl O-[4-(methanesulfinyl)phenyl] ethylphosphonothioateBAY-48792
Show more names
Ethylthiophosphonic acid O-ethyl O-[4-(methylsulfinyl)phenyl] esterPhosphonothioic acid, ethyl-, O-ethyl O-[4-(methylsulfinyl)phenyl] ester (9CI)
Database identifiers
- CAS
6587-45-7- PubChem CID
- 81063
- DTXSID
DTXSID30984349- Nikkaji
- J14.597A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 403 · 403.0±47.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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