Chemical Properties of Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester (CAS 38260-54-7)

InChI

InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3

InChI Key

FGIWFCGDPUIBEZ-UHFFFAOYSA-N

Formula

C10H17N2O4PS

SMILES

CCOc1cc(OP(=S)(OC)OC)nc(CC)n1

Molecular Weight¹

292.29

CAS

38260-54-7

Other Names

• 2-Ethyl-6-ethoxypyrimidin-4-yl dimethyl phosphorothionate
• Dimethyl-O-(2-ethyl-4-ethoxy-pyrimidinyl-6)-thionophosphate
• ENT 29126
• Ekamet
• Ekamet G
• Ekamet ULV
• Etrimfos
• Etrimphos
• O-(6-Ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
• O-6-Ethoxy-2-ethylpyrimidin-4-yl O,O-dimethyl phosphorothioate
• OMS 1806
• Phosphorothioic acid, O,O-dimethyl O-(6-ethoxy-2-ethyl-4-pyrimidinyl) ester
• SAN 197
• SAN 197 I
• SAN-I 197
• Satisfar

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.334		Crippen Calculated Property
McVol	208.250	ml/mol	McGowan Calculated Property
Inp	[1780.00; 1824.00]
Inp	1780.00		NIST
Inp	1794.00		NIST
Inp	1806.00		NIST
Inp	1824.00		NIST
Inp	1780.00		NIST
Inp	1824.00		NIST
Tfus	269.80	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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