Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Piperazin-1-yl-thiophen-3-yl-methanone |
EINECS | N/A |
CAS No. | 59939-74-1 | Density | 1.226 g/cm3 |
PSA | 60.58000 | LogP | 1.06020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12N2OS | Boiling Point | 352.972 °C at 760 mmHg |
Molecular Weight | 196.273 | Flash Point | 167.272 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Piperazine,1-(3-thienylcarbonyl)- (9CI); |
Article Data | 3 |
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