Chemical Properties of Pyrazophos (CAS 13457-18-6)

Pyrazophos

InChI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
InChI Key
JOOMJVFZQRQWKR-UHFFFAOYSA-N
Formula
C14H20N3O5PS
SMILES
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C
Molecular Weight1
373.36
CAS
13457-18-6
Other Names
  • 2-(O,O-Diethyl thionophosphoryl)-5-methyl-6-carbethoxy-pyrazolo(1,5a)pyrimidin
  • 2-(O,O-Diethyl-thionophosphoryl)-5-methyl-6-carbethoxy-pyrazolo-(1,5-a)pyrimidine
  • Afugan
  • Curamil
  • Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate
  • Ethyl 2-hydroxy-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate O-ester of O,O-diethylphosphorothioic acid
  • HOE 2873
  • Hoechst 2873
  • Missile
  • NSC 232671
  • O,O-Diethyl-O-(5-methyl-6-ethoxy-carbonyl-pyrazolo(1.5-a)pyrimid-2-yl)-thionophosphate
  • O-6-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioate
  • Phosphorothioic acid, O,O-diethyl ester, O-ester with (6-ethoxycarbonyl-5-methyl)pyrazolo(1,5-a)pyrimidin-2-ol
  • Pyrazolo(1,5a)pyrimidine, 2-(O,O-diethyl thionophosphoryl)-5-methyl-6-ethoxycarbonyl-
  • Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[(diethoxyphosphinothioyl)oxy]-5-methyl-, ethyl ester
  • Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-hydroxy-5-methyl-, ethyl ester, O-ester with O,O-diethyl phosphorothioate
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Physical Properties

Property Value Unit Source
logPoct/wat 2.891 Crippen Calculated Property
McVol 261.000 ml/mol McGowan Calculated Property
Inp 2622.00 NIST
Tfus [324.15; 325.23] K Show Hide
Tfus 324.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 325.23 ± 0.20 K NIST

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 27.32 kJ/mol 324.40 NIST

Similar Compounds

10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. ethyl eburnamenine-14-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Ibogaine. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Hydroxy-N-methylcytisine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Yohimbine. Benzquinamide M (N-des-Et), acetylated. Hydromorphone, tert-butyldimethylsilyl ether. Methyldesorphine. Galantamin. Ergocristine.

Find more compounds similar to Pyrazophos.

Sources

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