Basic information
- CAS
7144-54-9- Standard SMILES
CNP(=S)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
JJTYCQVEJBLOER-UHFFFAOYSA-N- Molecular formula
- C17H18Cl4N3OPS
- Average molar mass
- 485.2 g/mol
- Monoisotopic mass
- 482.966231
Names & identifiers
- Preferred name
- O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate
- IUPAC
- N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
Names & synonyms
7144-54-9NSC52132O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioateNSC 52132NSC-52132EN5GKH3BGHN-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanaminePhosphonamidothioic acid, P-[4-(p-chlorophenyl)-1-piperazinyl]-N-methyl-, O-(2,4,5-trichlorophenyl) ester
Database identifiers
- CAS
7144-54-9- PubChem CID
- 413800
- UNII
- EN5GKH3BGH
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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