Chemical Properties of Demeton-S-methyl (CAS 919-86-8)

InChI

InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3

InChI Key

WEBQKRLKWNIYKK-UHFFFAOYSA-N

Formula

C6H15O3PS2

SMILES

CCSCCSP(=O)(OC)OC

Molecular Weight¹

230.28

CAS

919-86-8

Other Names

• Phosphorothioic acid, S-[2-(ethylthio)ethyl] O,O-dimethyl ester
• Demeton-S-methyl sulfide
• meta-Isosystox
• Metaisoseptox
• Metasystox I
• Metasystox J
• Metasystox 55
• Methyl demeton thioester
• Methyl isosystox
• Methylthionodemeton
• O,O-Dimethyl S-2-(ethylthio)ethyl phosphorothioate
• S-[2-(Ethylthio)ethyl] O,O-dimethyl phophorothioate
• S-[2-(Ethylthio)ethyl] O,O-dimethyl thiophosphate
• Demetone-S-methyl
• S-[2-(Ethylthio)ethyl] O,O-dimethyl phosphorothioate
• BAY 18436
• Bayer 25/154
• Demeton-S-metile
• O,O-Dimethyl-S-(2-aethylthio-aethyl)-monothiophosphat
• O,O-Dimethyl S-(2-eththioethyl)phosphorothioate
• Dimethyl S-(2-eththioethyl)thiophosphate
• O,O-Dimethyl S-ethylmercaptoethyl thiophosphate
• O,O-Dimethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer
• O,O-Dimethyl-S-(2-ethylthio-ethyl)-monothiofosfaat
• O,O-Dimethyl-S-(3-thia-pentyl)-monothiophosphat
• O,O-Dimetil-S-(2-etiltio-etil)-monotiofosfato
• Duratox
• Ethanethiol, 2-(ethylthio)-, S-ester with O,O-dimethyl phosphorothioate
• S-(2-(Ethylthio)ethyl) dimethyl phosphorothiolate
• Methyl-mercaptofos teolery
• Phosphorothioic acid, O,O-dimethyl S-(2-(ethylthio)ethyl) ester
• Thiophosphate de O,O-dimethyle et de S-2-ethylthio-ethyle
• Demetox
• Methylmercaptofostiol
• Mifatox
• Persyst
• Power DSM
• Thiometon oxon

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-585.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.80	kJ/mol	NIST
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) Calculated Property
logPoct/wat	2.874		Crippen Calculated Property
McVol	166.170	ml/mol	McGowan Calculated Property
Inp	[1579.00; 1628.00]
Inp	1627.00		NIST
Inp	1579.00		NIST
Inp	1596.00		NIST
Inp	1628.00		NIST
Inp	1614.00		NIST
Inp	1620.00		NIST
Inp	1628.00		NIST
Inp	1627.00		NIST
Inp	1628.00		NIST
Inp	1628.00		NIST
Inp	1579.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Find more compounds similar to Demeton-S-methyl.

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

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.
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