bis(2H5)ethyl chloro(sulfanylidene)phosphonite

• ChemBase ID: 167331
• Molecular Formular: C4H10ClO2PS
• Molecular Mass: 188.612761
• Monoisotopic Mass: 187.98276487
• SMILES: P(=S)(Cl)(OCC)OCC
• Canonical SMILES: CCOP(=S)(OCC)Cl
• InChI: InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
• InChIKey: KMJJJTCKNZYTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^2H₅)ethyl chloro(sulfanylidene)phosphonite
• IUPAC Traditional name: bis(^2H₅)ethyl chloro(sulfanylidene)phosphonite
• Synonyms: Phosphorochloridothioic Acid O,O-(Diethyl-d10) Ester; O,O-(Diethyl-d10) Thiophosphoryl Chloride; NSC 43776-d10; Diethyl Chlorothiophosphate-d10

Database IDs

• CAS Number: 287397-89-1
• PubChem SID: 162261464
• PubChem CID: 12342960

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1046994
• LogD (pH = 7.4): 2.1046994
• Log P: 2.1046994
• Molar Refractivity: 44.6763 cm^3
• Polarizability: 18.081924 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid