Basic information
- CAS
2591-71-1- Standard SMILES
CCOP(=S)(NC)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
WPOYPCBQAYFXJP-UHFFFAOYSA-N- Molecular formula
- C9H11Cl3NO2PS
- Average molar mass
- 334.6 g/mol
- Monoisotopic mass
- 332.93137
Names & identifiers
- Preferred name
- Phosphoramidothioic acid, methyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
- IUPAC
- N-[ethoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
Names & synonyms
Phosphoramidothioic acid, methyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester2591-71-1O-ethyl o-(2,4,5-trichlorophenyl) methylamidothiophosphateDTXSID901035021
Database identifiers
- CAS
2591-71-1- PubChem CID
- 520237
- DTXSID
DTXSID901035021
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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