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

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

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
Afugan
Hoechst 2873
HOE 2873
Curamil
Ethyl 2-hydroxy-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate O-ester of O,O-diethylphosphorothioic acid
Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate
Pyrazolo(1,5a)pyrimidine, 2-(O,O-diethyl thionophosphoryl)-5-methyl-6-ethoxycarbonyl-
2-(O,O-Diethyl thionophosphoryl)-5-methyl-6-carbethoxy-pyrazolo(1,5a)pyrimidin
Phosphorothioic acid, O,O-diethyl ester, O-ester with (6-ethoxycarbonyl-5-methyl)pyrazolo(1,5-a)pyrimidin-2-ol
O,O-Diethyl-O-(5-methyl-6-ethoxy-carbonyl-pyrazolo(1.5-a)pyrimid-2-yl)-thionophosphate
2-(O,O-Diethyl-thionophosphoryl)-5-methyl-6-carbethoxy-pyrazolo-(1,5-a)pyrimidine
Missile
NSC 232671
O-6-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioate

Δ_fusH : Enthalpy of fusion at a given temperature (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.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-0.90		Crippen Calculated Property
logP_oct/wat	2.891		Crippen Calculated Property
McVol	261.000	ml/mol	McGowan Calculated Property
I_np	2622.00		NIST
T_fus	325.23 ± 0.20	K	NIST

Temperature Dependent Properties

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

Similar Compounds

Find more compounds similar to Pyrazophos.

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