3,5-dichlorophenyl ethyl ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 126975
• Molecular Formular: C10H13Cl2O3PS
• Molecular Mass: 315.153181
• Monoisotopic Mass: 313.97000727
• SMILES: CCOP(=S)(OCC)Oc1cc(Cl)cc(Cl)c1
• Canonical SMILES: CCOP(=S)(Oc1cc(Cl)cc(c1)Cl)OCC
• InChI: InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
• InChIKey: LGPMLZXFVPWWJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichlorophenyl ethyl ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: dichlofenthion
• Synonyms: Diclophenthion; Diclofenthion; Hexanemn; Mobilawn; Nemacidn; Phosphorothioic acin; ECn; VC-13; Dichlofenthion; Dichlofenthion; Dichlofention; Dichlorfenthion; Dichlorofenthion

Database IDs

• CAS Number: 97-17-6
• PubChem SID: 162221298
• PubChem CID: 57120921; 7328
• Chemspider ID: 7051
• KEGG ID: C18398
• Unique Ingredient Identifier: 64234GT8TT
• Wikipedia Title: Dichlofenthion

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5833116
• LogD (pH = 7.4): 4.5833116
• Log P: 4.5833116
• Molar Refractivity: 74.9741 cm^3
• Polarizability: 30.251125 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.245 mg/L in water
• Apperance: liquid
• Boiling Point: 123 °C (396 K)
• Flash Point: Not flammable