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

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

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
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).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5078		Relay (1.0) Calculated Property
Δ_fG°	-255.80	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-610.95	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	78.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log₁₀WS	[-2.00; -2.00]
log₁₀WS	-2.00		Aq. Solubility Prediction
log₁₀WS	-2.00		Estimated Solubility
logP_oct/wat	0.852		Crippen Calculated Property
McVol	173.420	ml/mol	McGowan Calculated Property
P_c	2759.09	kPa	Relay (1.0-beta) Calculated Property
I_np	[1762.00; 1805.00]
I_np	1805.00		NIST
I_np	1795.00		NIST
I_np	1762.00		NIST
I_np	1805.00		NIST
I_np	1762.00		NIST
I_np	1795.00		NIST
T_boil	602.12	K	Relay (1.0) Calculated Property
T_c	836.31	K	Relay (1.0) Calculated Property
T_fus	298.65	K	Aq. Solubility Prediction
V_c	0.606	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Dimethoate.

Mecarbam.

Amidithion.

Prothoate.

Phosphorodithioic acid, O,O-dipropyl S-(2-pipecolinocarbonylmethyl) ester.

Anilofos.

Amiton.

Malathion.

Thioridazine M (nor-), monoacetylated.

Thioridazine M (oxo-).

Sulforidazine M (nor-), monoacetylated.

Nadolol, N-methyl-, trimethyl ether.

Nomifensine.

Thioridazine.

Piperophos oxon.

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

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