4-(2,4-Dimethylphenyl)-2-thiazolecarboxaldehyde supplier

Name
4-(2,4-diMethylphenyl)-2-thiazolecarboxaldehyde
EINECS
CAS No. 383143-90-6
Density 1.196 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NOS
Boiling Point 362.645 °C at 760 mmHg
Molecular Weight 217.29
Flash Point 173.122 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2,4-Dimethylphenyl)thiazole-2-carbaldehyde;4-(2,4-Dimethylphenyl)-1,3-thiazole-2-carbaldehyde;
PSA 58.20000
LogP 3.23940

4-(2,4-Dimethylphenyl)-2-thiazolecarboxaldehyde Specification

The 4-(2,4-Dimethylphenyl)-2-thiazolecarboxaldehyde, with the CAS registry number 383143-90-6, is also known as 4-(2,4-Dimethylphenyl)-1,3-thiazole-2-carbaldehyde. This chemical's molecular formula is C₁₂H₁₁NOS and molecular weight is 217.29. What's more, its systematic name is 4-(2-Chlorophenyl)-1,3-thiazole-2-carbaldehyde.

Physical properties of 4-(2,4-Dimethylphenyl)-2-thiazolecarboxaldehyde are: (1)ACD/LogP: 3.878; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 521.70; (6)ACD/BCF (pH 7.4): 521.70; (7)ACD/KOC (pH 5.5): 3067.13; (8)ACD/KOC (pH 7.4): 3067.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 63.723 cm³; (15)Molar Volume: 181.638 cm³; (16)Polarizability: 25.262×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 173.122 °C; (20)Enthalpy of Vaporization: 58.466 kJ/mol; (21)Boiling Point: 362.645 °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=Cc2nc(c1c(cc(cc1)C)C)cs2
(2)Std. InChI: InChI=1S/C12H11NOS/c1-8-3-4-10(9(2)5-8)11-7-15-12(6-14)13-11/h3-7H,1-2H3
(3)Std. InChIKey: JRCMCNLZDWPZTJ-UHFFFAOYSA-N

Product Name

4-(2,4-diMethylphenyl)-2-thiazolecarboxaldehyde

4-(2,4-Dimethylphenyl)-2-thiazolecarboxaldehyde Specification

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