Chemical Properties of Omethoate (CAS 1113-02-6)

InChI

InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)

InChI Key

PZXOQEXFMJCDPG-UHFFFAOYSA-N

Formula

C5H12NO4PS

SMILES

CN=C(O)CSP(=O)(OC)OC

Molecular Weight¹

213.19

CAS

1113-02-6

Other Names

• 2-dimethoxyphosphorylsulfanyl-N-methylacetamide
• Acetamide, 2-mercapto-N-methyl-, S-ester with O,O-dimethyl phosphorothioate
• BAY 45432
• BAYER 45,432
• Bayer 45432
• Dimethoate O-analog
• Dimethoate Oxygen analog
• Dimethoate PO isologue
• Dimethoate oxon
• Dimethoate-met
• Dimethoxon
• Dimethyl-S-(N-methyl-carbamoyl-methyl)phosphorothiolate
• ENT 25,776
• Folimat
• Folimat 4E
• O,O-Dimethyl S-(2-(methylamino)-2-oxoethyl)phosphorothioate
• O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorothiolate
• O,O-Dimethyl S-(N-methylcarbamoylmethyl) thiophosphate
• O,O-Dimethyl S-[(methylcarbamoyl)methyl] phosphorothioate
• O,O-Dimethyl-S-((N-methyl-carbamoyl)-methyl)-monothiofosfaat
• O,O-Dimethyl-S-(2-oxo-3-azabutyl)-monothiophosphate
• O,O-Dimethyl-S-(N-methyl-carbamoyl)-methyl-monothiophosphate
• O,O-Dimethyl-S-(N-methyl-carbamoyl-methyl)-thiolphosphate
• O,O-Dimethyl-S-(N-methylcarbamoylmethyl)phosphorothioate
• O,O-Dimetil-S-(N-metil-carbamoil)-metil-monotiofosfato
• O-Analog of dimethoate
• Omethoat
• P=O-Rogor
• PO-Dimethoate
• Phosphorothioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester
• Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
• S6876
• Thiophosphate de O,O-dimethyle et de S-(N-methylcarbamoyl) methyle

• 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	1.707		Crippen Calculated Property
McVol	147.280	ml/mol	McGowan Calculated Property
Inp	[1588.00; 1640.00]
Inp	1596.00		NIST
Inp	1640.00		NIST
Inp	1630.00		NIST
Inp	1640.00		NIST
Inp	1588.00		NIST
Inp	1603.00		NIST
Inp	1628.00		NIST
Inp	1630.00		NIST
Inp	1596.00		NIST
Tfus	245.15	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 Omethoate.

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.
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