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219863-71-5

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Basic Information
CAS No.: 219863-71-5
Name: 5-(Thiophen-2-yl)-1H-pyrazole
Article Data: 7
Molecular Structure:
Molecular Structure of 219863-71-5 (5-(Thiophen-2-yl)-1H-pyrazole)
Formula: C7H6N2S
Molecular Weight: 150.204
Synonyms: 5-(2-THIENYL)-1H-PYRAZOLE;5-(thiophene-2-yl)-1H-pyrazole;5-(2-THIENYL)PYRAZOLE;5-(THIOPHEN-2-YL)-1H-PYRAZOLE;
Density: 1.297 g/cm3
Melting Point: 97-102°C
Boiling Point: 344 °C at 760 mmHg
Flash Point: 167.8 °C
Hazard Symbols: Xn
Risk Codes: 22-36/37/38
Safety: 26
PSA: 56.92000
LogP: 2.13820
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Specification

The 5-(Thiophen-2-yl)-1H-pyrazole, with the CAS registry number 219863-71-5, is also known as 1H-Pyrazole, 3-(2-thienyl)-. This chemical's molecular formula is C7H6N2S and molecular weight is 150.2009. What's more, its systematic name is called 5-(Thiophen-2-yl)-1H-pyrazole.

Physical properties about 5-(Thiophen-2-yl)-1H-pyrazole are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.78; (6)ACD/BCF (pH 7.4): 15.79; (7)ACD/KOC (pH 5.5): 250.73; (8)ACD/KOC (pH 7.4): 250.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.06 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 41.75 cm3; (15)Molar Volume: 115.7 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Density: 1.297 g/cm3; (18)Flash Point: 167.8 °C; (19)Enthalpy of Vaporization: 56.46 kJ/mol; (20)Boiling Point: 344 °C at 760 mmHg; (21)Vapour Pressure: 0.000135 mmHg at 25 °C.

Preparation of 5-(Thiophen-2-yl)-1H-pyrazole: this chemical can be prepared by E-3-Dimethylamino-1-(2-thienyl)propenone. This reaction needs reagent Hydrazine hydrate, solvent Ethanol and other condition of heating for 3 hours. The yield is 71 %.

5-(Thiophen-2-yl)-1H-pyrazolel can be prepared by E-3-Dimethylamino-1-(2-thienyl)propenone.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(n1)c2sccc2
(2) InChI: InChI=1/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
(3) InChIKey: TVNDPZYOQCCHTJ-UHFFFAOYAK