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174006-71-4

Basic Information
CAS No.: 174006-71-4
Name: 2-(4-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 174006-71-4 (2-(4-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE)
Formula: C11H9NO2S
Molecular Weight: 219.26
Synonyms: 2-(4-methoxyphenyl)thiazole-4-carbaldehyde;4-thiazolecarboxaldehyde, 2-(4-methoxyphenyl)-;
EINECS: 604-604-1
Density: 1.267 g/cm3
Boiling Point: 387.586 °C at 760 mmHg
Flash Point: 188.205 °C
PSA: 67.43000
LogP: 2.63120
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Specification

The 4-Thiazolecarboxaldehyde,2-(4-methoxyphenyl)-, with the CAS registry number 174006-71-4, has the systematic name of 2-(4-methoxyphenyl)thiazole-4-carbaldehyde. It belongs to the product category of Thiazole. And the molecular formula of the chemical is C11H9NO2S.

The characteristics of 4-Thiazolecarboxaldehyde,2-(4-methoxyphenyl)- are as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.678; (4)ACD/LogD (pH 7.4): 2.678; (5)ACD/BCF (pH 5.5): 63.903; (6)ACD/BCF (pH 7.4): 63.903; (7)ACD/KOC (pH 5.5): 682.34; (8)ACD/KOC (pH 7.4): 682.349; (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)Density: 1.267 g/cm3; (19)Flash Point: 188.205 °C; (20)Enthalpy of Vaporization: 63.667 kJ/mol; (21)Boiling Point: 387.586 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc(cc1)c2nc(cs2)C=O
(2)InChI: InChI=1/C11H9NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
(3)InChIKey: YZUAAQCBGVFCRK-UHFFFAOYAI