Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate
Basic information
- CAS
3690-28-6- Standard SMILES
CCOC(=O)C(SP(=O)(OC)OC)c1ccccc1- InChIKey
BPHVILLCQZUQEX-UHFFFAOYSA-N- Molecular formula
- C12H17O5PS
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.05343181
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate
- IUPAC
- ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate
- English name
- phenthoate oxon
- Molecular formula
- C12H17O5PS
- Molecular weight
- 304.301
Names & synonyms
Phenthoate oxon3690-28-6RefChem:921292Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetateethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetateBRN 2756510Fenthoate oxonAI3-23438Benzeneacetic acid, alpha-((dimethoxyphosphinyl)thio)-, ethyl ester4-10-00-00586 (Beilstein Handbook Reference)SCHEMBL9863299DTXSID30958101
Show more names
BPHVILLCQZUQEX-UHFFFAOYSA-NAcetic acid, mercaptophenyl-, ethyl ester, dimethyl phosphateAcetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorothioateEthyl [(dimethoxyphosphoryl)sulfanyl](phenyl)acetate
Database identifiers
- CAS
3690-28-6- PubChem CID
- 19398
- DTXSID
DTXSID30958101
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Density
- 1.226 · 1.226
- color
- Colorless crystalline solid
- Odor
- aromatic odor
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 63 mg/kg JAFCAU 20,944,1972
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 63 mg/kg JAFCAU 20,944,1972
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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