Chemical Properties of Demeton-S (CAS 126-75-0)

InChI

InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

InChI Key

GRPRVIYRYGLIJU-UHFFFAOYSA-N

Formula

C8H19O3PS2

SMILES

CCOP(=O)(OCC)SCCSCC

Molecular Weight¹

258.34

CAS

126-75-0

Other Names

• 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane
• Demeton thiolo
• Demetonthiol
• Diethyl S-(2-ethioethyl)thiophosphate
• Disulfoton O-analog
• Disulfoton oxon
• Ethylthionodemeton
• IS
• IS (pesticide)
• Isodemeton
• Isosystox
• Izosystox
• O,O-Diaethyl-S(2-aethylthio-aethyl)-monothiophosphat
• O,O-Diethyl S-(2-(ethylthio)ethyl) phosphorothiolate
• O,O-Diethyl S-(2-eththioethyl)phosphorothioate
• O,O-Diethyl S-[2-(Ethylthio)ethyl] phosphorothioate
• O,O-Diethyl S-[2-(ethylthio)ethyl] thiophosphate
• O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate
• O,O-Diethyl-S-(2-ethylthio-ethyl)-monothiofosfaat
• O,O-Dietil-S-(2-etiltio-etil)-monotiofosfato
• O,O-Dietyl-S-2-etylmerkaptoetyltiofosfat
• Phosphorothioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester
• Po-systox
• Systox-thiol
• Thiol systox
• Thioldemeton
• Thiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	76.40	kJ/mol	NIST
log10WS	-2.11		Aq. Sol...
logPoct/wat	3.654		Crippen Calculated Property
McVol	194.350	ml/mol	McGowan Calculated Property
Inp	[1706.00; 1738.00]
Inp	1706.00		NIST
Inp	1738.00		NIST
Inp	1706.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[441.79; 582.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.10887e+01
Coefficient B			-9.18962e+03
Temperature range, min.			441.79
Temperature range, max.			582.46
Pvap	1.33	kPa	441.79	Calculated Property
Pvap	2.71	kPa	457.42	Calculated Property
Pvap	5.27	kPa	473.05	Calculated Property
Pvap	9.81	kPa	488.68	Calculated Property
Pvap	17.58	kPa	504.31	Calculated Property
Pvap	30.40	kPa	519.94	Calculated Property
Pvap	50.91	kPa	535.57	Calculated Property
Pvap	82.82	kPa	551.20	Calculated Property
Pvap	131.16	kPa	566.83	Calculated Property
Pvap	202.64	kPa	582.46	Calculated Property

Similar Compounds

Find more compounds similar to Demeton-S.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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