Basic information
- CAS
7452-40-6- Standard SMILES
CCOC(=O)c1ccccc1OP(=S)(OCC)OCC- InChIKey
YFUHISMUGZGZBH-UHFFFAOYSA-N- Molecular formula
- C13H19O5PS
- Average molar mass
- 318.33 g/mol
- Monoisotopic mass
- 318.06908187
Names & identifiers
- Preferred name
- Benzoic acid, 2-((diethoxyphosphinothioyl)oxy)-, ethyl ester
- IUPAC
- ethyl 2-diethoxyphosphinothioyloxybenzoate
Names & synonyms
7452-40-6BRN 55835942-((Diethoxyphosphinothioyl)oxy)benzoic acid ethyl esterBENZOIC ACID, 2-((DIETHOXYPHOSPHINOTHIOYL)OXY)-, ETHYL ESTERDTXSID30225522RefChem:326726DTXCID60148013Ethyl 2-((diethoxyphosphorothioyl)oxy)benzoateethyl 2-[(diethoxyphosphorothioyl)oxy]benzoate
Database identifiers
- CAS
7452-40-6- PubChem CID
- 24019
- DTXSID
DTXSID30225522
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
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…