Basic information
- CAS
1885-98-9- Standard SMILES
CCOP(=O)(OCC)SC(Cl)C(Cl)Cl- InChIKey
HGDGWEKDDGPTFH-UHFFFAOYSA-N- Molecular formula
- C6H12Cl3O3PS
- Average molar mass
- 301.6 g/mol
- Monoisotopic mass
- 299.931035
Names & identifiers
- Preferred name
- O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate
- IUPAC
- 1,1,2-trichloro-2-diethoxyphosphorylsulfanylethane
- English name
- Phosphorothioic acid O,O-diethyl S-(1,2,2-trichloroethyl) ester
- Molecular weight
- 0
Names & synonyms
O,O-Diethyl S-(1,2,2-trichloroethyl) phosphorothioate1885-98-9DTXSID10940347RefChem:1093503DTXCID501368816Phosphorothioic acid O,O-diethyl S-(1,2,2-trichloroethyl) esterChemagro 4672BRN 20998141,1,2-trichloro-2-diethoxyphosphorylsulfanylethaneENT 27,283AI3-27283Phosphorothioic acid, O,O-diethyl S-1,2,2-trichloroethyl ester
Database identifiers
- CAS
1885-98-9- PubChem CID
- 102707
- DTXSID
DTXSID10940347- Nikkaji
- J34.687J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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