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CAS No.: | 914348-82-6 |
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Name: | 2-(4-METHOXYPHENYL)THIAZOLE-5-CARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H9NO2S |
Molecular Weight: | 219.264 |
Synonyms: | 2-(4-Methoxyphenyl)thiazole-5-carbaldehyde; |
Density: | 1.267 g/cm3 |
Boiling Point: | 387.586 °C at 760 mmHg |
Flash Point: | 188.205 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 67.43000 |
LogP: | 2.63120 |
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The 5-Thiazolecarboxaldehyde,2-(4-methoxyphenyl)-, with CAS registry number 914348-82-6, has the systematic name of 2-(4-methoxyphenyl)thiazole-5-carbaldehyde. And the chemical formula of this chemical is C11H9NO2S.
Physical properties of 5-Thiazolecarboxaldehyde,2-(4-methoxyphenyl)-: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.743; (4)ACD/LogD (pH 7.4): 1.743; (5)ACD/BCF (pH 5.5): 12.445; (6)ACD/BCF (pH 7.4): 12.445; (7)ACD/KOC (pH 5.5): 211.547; (8)ACD/KOC (pH 7.4): 211.554; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 60.752 cm3; (15)Molar Volume: 173.09 cm3; (16)Polarizability: 24.084×10-24cm3; (17)Surface Tension: 49.738 dyne/cm; (18)Enthalpy of Vaporization: 63.667 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)c2ncc(s2)C=O
(2)InChI: InChI=1/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-6-10(7-13)15-11/h2-7H,1H3
(3)InChIKey: DFJPGTVCVKDDEY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-6-10(7-13)15-11/h2-7H,1H3
(5)Std. InChIKey: DFJPGTVCVKDDEY-UHFFFAOYSA-N