Chemical Properties of Demeton-S-methyl sulfone (CAS 17040-19-6)

InChI

InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3

InChI Key

PZIRJMYRYORVIT-UHFFFAOYSA-N

Formula

SMILES

CCS(=O)(=O)CCSP(=O)(OC)OC

Molecular Weight¹

262.28

CAS

17040-19-6

Other Names

Phosphorothioic acid, S-[2-(ethylsulfonyl)ethyl] O,O-dimethyl ester
Metasystox i sulfone
Metasystox R sulfone
O,O-Dimethyl S-[2-(ethylsulfonyl)ethyl] monothiophosphate
O,O-Dimethyl S-[2-(ethylsulfonyl)ethyl] thiophosphate
O,O-Dimethyl S-2-(ethylsulfonyl)ethyl phosphorothioate
Oxydemetonmethyl sulfone
S-[2-(Ethylsulfonyl)ethyl] O,O-dimethyl phosphorothioate
Phosphorothioic acid, O,O-dimethyl S-(2-(ethylsulfonyl)ethyl) ester
BAYER 20315
Demeton-S-methylsulfon
Demeton-S-methyl-sulphone
O,O-Dimethyl-S-(2-aethylsulfonyl-aethyl)-thiolphosphat
O,O-Dimethyl S-(2-ethsulfonylethyl)phosphorothioate
Dimethyl S-(2-ethsulfonylethyl)thiophosphate
O,O-Dimethyl S-ethyl-2-sulfonylethyl phosphorothiolate
O,O-Dimethyl S-ethylsulphonylethyl phosphorothiolate
Dioxydemeton-S-methyl
E 158
Isometasystox sulfone
Isomethylsystox sulfone
M 3/158
Metaisosystox-solfon 20 315
Sulfone, demeton-S-methyl-
Demethon S-methyl sulfone
demeton-S-methylsulphon

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5522		Relay (1.0) Calculated Property
Δ_fG°	-509.18	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-907.14	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	100.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.58		Relay (1.0) Calculated Property
logP_oct/wat	1.555		Crippen Calculated Property
McVol	177.910	ml/mol	McGowan Calculated Property
P_c	2540.04	kPa	Relay (1.0-beta) Calculated Property
I_np	[1850.00; 1889.00]
I_np	1850.00		NIST
I_np	1871.00		NIST
I_np	1889.00		NIST
T_boil	622.71	K	Relay (1.0) Calculated Property
T_c	808.00	K	Relay (1.0) Calculated Property
T_fus	315.01	K	Relay (1.0) Calculated Property
V_c	0.634	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Demeton S-sulfone.

Demeton S-sulfoxide.

Demeton-S-methyl.

Disulfoton sulfone.

Demeton-S.

Oxydisulfoton.

Vamidothion.

Thiometon.

O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate.

Disulfoton.

Methylthiophosphonic acid, O-isobutyl, S-(2-(2-(2-diethylaminoethylthio)ethylthio)ethylthio.

Isothioate.

o-Ethyl S-2-(ethylthio)ethyl methylphosphonothiolate.

Methylthiophosphonic acid, O-isobutyl, S-2-(2-(diethylaminoethylthio)ethyl) ester.

Biotin, TMS.

Find more compounds similar to Demeton-S-methyl sulfone.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

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