Chemical Properties of Vamidothion (CAS 2275-23-2)

InChI

InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

InChI Key

LESVOLZBIFDZGS-UHFFFAOYSA-N

Formula

C8H18NO4PS2

SMILES

CNC(=O)C(C)SCCSP(=O)(OC)OC

Molecular Weight¹

287.34

CAS

2275-23-2

Other Names

• American cyanamid-43073
• Dimethyl S-[2-(1-methylcarbamoylethylthio)ethyl] phosphorothiolate
• ENT 26,613
• Kilval
• N-Methyl O,O-dimethylthiolophosphoryl-5-thia-3-methyl-2-valeramide
• N-Methyl-3-thia-2-methyl-valeramid der O,O-dimethylthiolphosphorsaeure
• NPH 83
• O,O-Dimethyl S-2-(1-N-methylcarbamoylethylmercapto)ethyl thiophosphate
• O,O-Dimethyl S-[2-(1-methylcarbamoylethylthio)ethyl] phosphorothioate
• Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] ester
• Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-[(2-mercaptoethyl)thio]-N-methylpropionamide
• R.P. 10,465
• RP 9895
• Trucidor
• Vamidoate

• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.5786		Relay (1.0) Calculated Property
ΔfG°	-315.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-773.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	[1.14; 1.14]
log10WS	1.14		Aq. Solubility Prediction
log10WS	1.14		Estimated Solubility
logPoct/wat	1.988		Crippen Calculated Property
McVol	205.900	ml/mol	McGowan Calculated Property
Pc	2195.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[2036.00; 2080.00]
Inp	2036.00		NIST
Inp	2080.00		NIST
Inp	2075.00		NIST
Inp	2080.00		NIST
Inp	2075.00		NIST
Inp	2036.00		NIST
Tboil	606.30	K	Relay (1.0) Calculated Property
Tc	816.40	K	Relay (1.0) Calculated Property
Tfus	304.95	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Vamidothion.

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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