Chemical Properties of Demeton S-sulfone (CAS 2496-91-5)

Demeton S-sulfone

InChI
InChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3
InChI Key
VMXCTQSDRPKAOC-UHFFFAOYSA-N
Formula
C8H19O5PS2
SMILES
CCOP(=O)(OCC)SCCS(=O)(=O)CC
Molecular Weight1
290.34
CAS
2496-91-5
Other Names
  • Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
  • Demeton sulfone
  • Demeton thiol sulfone
  • Isosystox sulfone
  • O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate
  • O,O-Diethyl S-(2-ethsulfonylethyl)phosphorothioate
  • Diethyl S-(2-ethsulfonylethyl) thiophosphate
  • O,O-Diethyl S-ethyl 2-ethylmercaptophosphorothiolate sulfone
  • O,O-Diethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer
  • Isodemeton-sulfone
  • PO systox sulfone
  • Thiol systox sulfone
  • Disulfoton O-analog sulfone
  • Disulfoton oxon sulfone
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Physical Properties

Property Value Unit Source
ω 0.6112 Relay (1.0) Calculated Property
ΔfG° -543.92 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -969.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.72 kJ/mol Relay (1.0) Calculated Property
IE 9.08 eV Relay (1.0) Calculated Property
log10WS -1.25 Relay (1.0) Calculated Property
logPoct/wat 2.335 Crippen Calculated Property
McVol 206.090 ml/mol McGowan Calculated Property
Pc 2183.97 kPa Relay (1.0-beta) Calculated Property
Tboil 638.32 K Relay (1.0) Calculated Property
Tc 797.92 K Relay (1.0) Calculated Property
Tfus 302.58 K Relay (1.0) Calculated Property
Vc 0.742 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Demeton S-sulfoxide. Demeton-S-methyl sulfone. Demeton-S. Disulfoton sulfone. Oxydisulfoton. Disulfoton. Vamidothion. O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate. Phoratoxon sulfone. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Quinapril desethyl 3Me (Quinaprilate 3Me). 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. 16A-Hydroxyoestrone, TMS. Mirtazapine-M (HO-) AC.

Find more compounds similar to Demeton S-sulfone.

Sources

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