Chemical Properties of Phosphorothioic acid, S-[2-[(1-cyano-1-methylethyl)amino]-2-oxoethyl] O,O-diethyl ester (CAS 3734-95-0)

InChI

InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)

InChI Key

TWDJIKFUVRYBJF-UHFFFAOYSA-N

Formula

C10H19N2O4PS

SMILES

CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N

Molecular Weight¹

294.31

CAS

3734-95-0

Other Names

• Phosphorothioic acid, O,O-diethyl ester, S-ester with N-(1-cyano-1-methylethyl)-2-mercaptoacetamide
• Cyanthoate
• M 1568
• Tartan
• Phosphorothioic acid, S-(((1-cyano-1-methyl-ethyl)carbamoyl)methyl) O,O-diethyl ester
• «alpha»-Cyanoisopropylamide of O,O-diethylthiophosphoryl acetic acid
• S-(((1-Cyano-1-methyl-ethyl)carbamoyl)methyl) O,O-diethyl phosphorothioate
• S-N-(1-Cyano-1-methylethyl)carbamoylmethyl diethyl phosphorothiolate
• O,O-Diethyl-S-((2-cyaan-2-methyl-ethyl)-carbamoyl)-methyl-monothiofosfaat
• O,O-Diethyl-S-N-(«alpha»-cyanoisopropyl)carbomoylmethyl phosphorothioate
• O,O-Dietil-S-((2-cian-2-metil-etil)-carbamoil)-metil-monotiofosfato
• TH-427-1
• Thiophosphate de S-N-(1-cyano-1-methylethyl)carbamoylmethyle et de O,O-diethyle

• 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).
• 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

Similar Compounds

Find more compounds similar to Phosphorothioic acid, S-[2-[(1-cyano-1-methylethyl)amino]-2-oxoethyl] O,O-diethyl ester.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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