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

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

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.33		Crippen Calculated Property
logP_oct/wat	2.335		Crippen Calculated Property
McVol	206.090	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Demeton S-sulfone.

Sources

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