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| CAS No.: | 59939-74-1 |
|---|---|
| Name: | Piperazin-1-yl-thiophen-3-yl-methanone |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H12N2OS |
| Molecular Weight: | 196.273 |
| Synonyms: | Piperazine,1-(3-thienylcarbonyl)- (9CI); |
| Density: | 1.226 g/cm3 |
| Boiling Point: | 352.972 °C at 760 mmHg |
| Flash Point: | 167.272 °C |
| PSA: | 60.58000 |
| LogP: | 1.06020 |
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- Total:13 Page 1 of 1 1
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Specification
This chemical is called Piperazin-1-yl-thiophen-3-yl-methanone, and it can also be named as 1-(thien-3-ylcarbonyl)piperazine. With the molecular formula of C9H12N2OS, its molecular weight is 196.27. The CAS registry number of this chemical is 59939-74-1.
Other characteristics of the Piperazin-1-yl-thiophen-3-yl-methanone can be summarised as followings: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.58 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 53.391 cm3; (15)Molar Volume: 160.044 cm3; (16)Polarizability: 21.166×10-24cm3; (17)Surface Tension: 47.019 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 167.272 °C; (20)Enthalpy of Vaporization: 59.785 kJ/mol; (21)Boiling Point: 352.972 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N1CCNCC1)c2ccsc2
2.InChI: InChI=1/C9H12N2OS/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h1,6-7,10H,2-5H2
3.InChIKey: GOTAZYHBTVLKFD-UHFFFAOYAI