Chemical Properties of Formothion (CAS 2540-82-1)

InChI

InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3

InChI Key

AIKKULXCBHRFOS-UHFFFAOYSA-N

Formula

C6H12NO4PS2

SMILES

COP(=S)(OC)SCC(=O)N(C)C=O

Molecular Weight¹

257.27

CAS

2540-82-1

Other Names

• Acetamide, N-formyl-2-mercapto-N-methyl-, S-ester with O,O-dimethyl phosphorodithioate
• Aflix
• Anthio
• Anthio 25
• Antio
• CP 53926
• ENT 27,257
• J-38
• N-Formyl-N-methylcarbamoylmethyl O,O-dimethyl phosphorodithioate
• O,O-Dimethyl Dithiophosphorylacetic acid N-methyl-N-formylamide
• O,O-Dimethyl S-(N-formyl-N-methylcarbamoylmethyl) phosphorodithioate
• O,O-Dimethyl S-(N-methyl-N-formylcarbamoylmethyl)phosphorodithioate
• O,O-Dimethyl phosphorodithioate N-formyl-2-mercapto-N-methylacetamide S-ester
• O,O-Dimethyl-S-(3-methyl-2,4-dioxo-3-azabutyl)dithiofosfaat
• O,O-Dimethyl-S-(3-methyl-2,4-dioxo-3-azabutyl)dithiophosphat
• O,O-Dimethyl-S-(N-methyl-N-formylcarbamoylmethyl)dithiophosphat
• O,O-Dimetil-S-(N-formil-N-metilcarbamoilmetil)ditiofosfato
• OMS-968
• Phosphorodithioic acid, O,O-dimethyl ester, N-formyl-2-mercapto-N-methylacetamide S-ester
• Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-formyl-2-mercapto-N-methylacetamide
• Phosphorodithioic acid, S-[2-(formylmethylamino)-2-oxoethyl] O,O-dimethyl ester
• Phosphorodithioic acid, o,o-dimethyl ester, s-ester with n-formyl-n-methylglycolamide
• S 6900
• S-(2-(Formylmethylamino)-2-oxoethyl) O,O-dimethylphosphorodithioate
• S-(N-Formyl-N-methylcarbamoylmethyl) O,O-dimethyl phosphorodithioate
• S-(N-Formyl-N-methylcarbamoylmethyl) dimethyl phosphorothiolothionate
• SAN 244 I
• SAN 6913 I
• SAN 7107 I
• Sandoz S-6900
• Spencer S-6900
• Toprose
• VEL 4284

• 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).
• 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
ΔvapH°	79.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	[-2.00; -2.00]
log10WS	-2.00		Aq. Solubility Prediction
log10WS	-2.00		Estimated Solubility
logPoct/wat	0.852		Crippen Calculated Property
McVol	173.420	ml/mol	McGowan Calculated Property
Inp	[1762.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Inp	1795.00		NIST
Inp	1762.00		NIST
Inp	1795.00		NIST
Inp	1762.00		NIST
Tfus	298.65	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Formothion.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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