Chemical Properties of Carbophenoxon sulfone (CAS 16662-87-6)

Carbophenoxon sulfone

InChI
InChI=1S/C11H16ClO5PS2/c1-3-16-18(13,17-4-2)19-9-20(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChI Key
AQORIFUYBMSEHZ-UHFFFAOYSA-N
Formula
C11H16ClO5PS2
SMILES
CCOP(=O)(OCC)SCS(=O)(=O)c1ccc(Cl)cc1
Molecular Weight1
358.80
CAS
16662-87-6
Other Names
  • Phosphorothioic acid, S-[[(4-chlorophenyl)sulfonyl]methyl] O,O-diethyl ester
  • Phosphorothioic acid, S-[[(p-chlorophenyl)sulfonyl]methyl] O,O-diethyl ester
  • Methanethiol, [(p-chlorophenyl)sulfonyl]-, S-ester with O,O-diethyl phosphorothioate
  • O,O-Diethyl S-(p-chlorophenylsulfonyl)methyl phosphorothioate
  • R 1777
  • S-(p-Chlorophenylsulfonyl)methyl O,O-diethyl phosphorothioate
  • Carbophenothion oxon sulfone
  • Trithion oxon sulfone
  • S-([(4-Chlorophenyl)sulfonyl]methyl) O,O-diethyl thiophosphate
  • Carbophenothion O-analog sulfone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE 8.93 eV Relay (1.0) Calculated Property
logPoct/wat 3.986 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Carbophenoxon sulfoxide. Carbophenothion sulfone. Carbophenoxon. Carbofenothion sulfoxide. 2'-Deoxyinosine, tris(trimethylsilyl) derivative. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Dimetindene M (nor, OH), acetylated. Metopon. 1-Methylhypoxanthine riboside, TMS. Tetrazepam M (hydroxy-), isomer 1, hydrolysis, acetylated. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Thymine, 1-alpha-l-rhamnopyranosyl-. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Retroisosenine.

Find more compounds similar to Carbophenoxon sulfone.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.