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

Carbophenoxon sulfone

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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
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Physical Properties

Property Value Unit Source
ω 0.6554 Relay (1.0) Calculated Property
ΔfG° -444.49 kJ/mol Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas -812.92 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 105.79 kJ/mol Relay (1.0) Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -4.07 Relay (1.0) Calculated Property
logPoct/wat 3.986 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property
Pc 1968.02 kPa Relay (1.0-beta) Calculated Property ⚠️
Tboil 679.92 K Relay (1.0) Calculated Property
Tc 870.24 K Relay (1.0) Calculated Property
Tfus 343.82 K Relay (1.0) Calculated Property
Vc 0.828 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Carbophenoxon sulfoxide. Carbophenothion sulfone. Carbophenoxon. Carbofenothion sulfoxide. 2'-Deoxyinosine, tris(trimethylsilyl) derivative. Dimetindene M (nor, OH), acetylated. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Metopon. 1-Methylhypoxanthine riboside, TMS. Tetrazepam M (hydroxy-), isomer 1, hydrolysis, acetylated. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. (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. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Retroisosenine. Moexipril Me.

Find more compounds similar to Carbophenoxon sulfone.

Sources

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