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| CAS No.: | 141764-88-7 |
|---|---|
| Name: | 4-CHLORO-2-(1-METHYL-4-PIPERAZINYL)-5-THIAZOLECARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C9H12ClN3OS |
| Molecular Weight: | 245.733 |
| Synonyms: | 4-CHLORO-2-(4-METHYL-PIPERAZIN-1-YL)-THIAZOLE-5-CARBALDEHYDE;4-CHLORO-2-(1-METHYL-4-PIPERAZINYL)-5-THIAZOLECARBOXALDEHYDE;4-CHLORO-2-(1-METHYL-4-PIPERAZINYL)-HIAZOLE-5-CARBOXALDEHYDE;4-Chloro-2-(1-methyl-4-piperazinyl)-;Zinc02507508 |
| EINECS: | 604-604-1 |
| Density: | 1.372 g/cm3 |
| Boiling Point: | 373.7 °C at 760 mmHg |
| Flash Point: | 179.8 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 64.68000 |
| LogP: | 1.36370 |
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Specification
This chemical is called 5-Thiazolecarboxaldehyde, 4-chloro-2-(4-methyl-1-piperazinyl)-, and its systematic name is 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde. With the molecular formula of C9H12ClN3OS, its molecular weight is 245.73. The CAS registry number of this chemical is 141764-88-7. Additionally, its product category is Thiazole.
Other characteristics of the 5-Thiazolecarboxaldehyde, 4-chloro-2-(4-methyl-1-piperazinyl)- can be summarised as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.15; (8)ACD/KOC (pH 7.4): 29.27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.68 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 62.85 cm3; (15)Molar Volume: 179 cm3; (16)Polarizability: 24.91×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 179.8 °C; (20)Enthalpy of Vaporization: 62.1 kJ/mol; (21)Boiling Point: 373.7 °C at 760 mmHg; (22)Vapour Pressure: 8.82E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1sc(nc1Cl)N2CCN(C)CC2
2.InChI: InChI=1/C9H12ClN3OS/c1-12-2-4-13(5-3-12)9-11-8(10)7(6-14)15-9/h6H,2-5H2,1H3
3.InChIKey: ZOVNOCUBYWVOLX-UHFFFAOYAA