Basic information
- CAS
5693-31-2- Standard SMILES
CCOC(=O)c1ccc(OP(=S)(OCC)OCC)cc1- InChIKey
RSCKRCFDYDBVAE-UHFFFAOYSA-N- Molecular formula
- C13H19O5PS
- Average molar mass
- 318.33 g/mol
- Monoisotopic mass
- 318.06908187
Names & identifiers
- Preferred name
- Benzoic acid, 4-((diethoxyphosphinothioyl)oxy)-, ethyl ester
- IUPAC
- ethyl 4-diethoxyphosphinothioyloxybenzoate
Names & synonyms
4-((Diethoxyphosphinothioyl)oxy)benzoic acid ethyl esterBRN 55838775693-31-2BENZOIC ACID, 4-((DIETHOXYPHOSPHINOTHIOYL)OXY)-, ETHYL ESTERRefChem:327355DTXSID70972366Ethyl 4-[(diethoxyphosphorothioyl)oxy]benzoate
Database identifiers
- CAS
5693-31-2- PubChem CID
- 21892
- DTXSID
DTXSID70972366
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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