2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate
Basic information
- CAS
66957-43-5- Standard SMILES
CCCCSP(C)(=O)OCCOC(=O)CCC- InChIKey
SKQAQWNGPPIEOK-UHFFFAOYSA-N- Molecular formula
- C11H23O4PS
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.10546738
Names & identifiers
- Preferred name
- 2-{[(Butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoate
- IUPAC
- 2-[butylsulfanyl(methyl)phosphoryl]oxyethyl butanoate
Names & synonyms
66957-43-52-{[(butylsulfanyl)(methyl)phosphoryl]oxy}ethyl butanoateDTXSID90985690Butanoic acid, 2-(((butylthio)methylphosphinyl)oxy)ethyl ester
Database identifiers
- CAS
66957-43-5- PubChem CID
- 186791
- DTXSID
DTXSID90985690
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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