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52063-83-9

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Basic Information
CAS No.: 52063-83-9
Name: 1-(THIEN-2-YLCARBONYL)PIPERAZINE
Article Data: 22
Molecular Structure:
Molecular Structure of 52063-83-9 (1-(THIEN-2-YLCARBONYL)PIPERAZINE)
Formula: C9H12N2OS
Molecular Weight: 196.273
Synonyms: Piperazine,1-(2-thienylcarbonyl)- (9CI);(Piperazin-1-yl)(thiophen-2-yl)methanone;(Thien-2-yl)(piperazin-1-yl)methanone;1-(2-Thienylcarbonyl)piperazine;2-Thienoylpiperazine;N-(2-Thenoyl)piperazine;N-2-Thienoylpiperazine;
Density: 1.226 g/cm3
Boiling Point: 353 °C at 760 mmHg
Flash Point: 167.3 °C
PSA: 60.58000
LogP: 1.06020
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Specification

The CAS registry number of Methanone,1-piperazinyl-2-thienyl- is 52063-83-9. The IUPAC name is piperazin-1-yl(thiophen-2-yl)methanone. In addition, the molecular formula is C9H12N2OS and the molecular weight is 196.27. It is also called 1-(thien-2-ylcarbonyl)piperazine. What's more, it should be stored in a cool and dry place.

Physical properties about Methanone,1-piperazinyl-2-thienyl- are: (1)ACD/LogP: 0.18; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 51.79 Å2; (6)Index of Refraction: 1.581; (7)Molar Refractivity: 53.39 cm3; (8)Molar Volume: 160 cm3; (9)Polarizability: 21.16 ×10-24cm3; (10)Surface Tension: 47 dyne/cm; (11)Density: 1.226 g/cm3; (12)Flash Point: 167.3 °C; (13)Enthalpy of Vaporization: 59.78 kJ/mol; (14)Boiling Point: 353 °C at 760 mmHg; (15)Vapour Pressure: 3.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCNCC1)c2sccc2
(2)InChI: InChI=1/C9H12N2OS/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
(3)InChIKey: KUKGMDPEGDZCTL-UHFFFAOYAJ