4-Thiazolecarboxylicacid, 2-(4-methylphenyl)- supplier

Name
2-(4-METHYLPHENYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 17228-99-8
Article Data5
CAS DataBase
Density 1.319g/cm³
Solubility Slightly soluble in water.
Melting Point 176-178°C
Formula C₁₁H₉NO₂S
Boiling Point 422.8 °C at 760 mmHg
Molecular Weight 219.264
Flash Point 209.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Thiazolecarboxylicacid, 2-p-tolyl- (7CI,8CI);2-(4-Methylphenyl)thiazole-4-carboxylic acid;2-p-Tolyl-4-thiazolecarboxylic acid;
PSA 78.43000
LogP 2.81670

4-Thiazolecarboxylicacid, 2-(4-methylphenyl)- Specification

The 4-Thiazolecarboxylicacid, 2-(4-methylphenyl)-, with CAS registry number 17228-99-8, has the systematic name of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid. Besides this, it is also called 2-P-Tolyl-thiazole-4-carboxylic acid. And the chemical formula of this chemical is C₁₁H₉NO₂S.

Physical properties of 4-Thiazolecarboxylicacid, 2-(4-methylphenyl)-: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 2.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.16; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 59.07 cm³; (15)Molar Volume: 166.2 cm³; (16)Polarizability: 23.41×10^-24cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.319 g/cm³; (19)Flash Point: 209.5 °C; (20)Enthalpy of Vaporization: 71.37 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 6.66E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(sc1)c2ccc(cc2)C
(2)InChI: InChI=1/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
(3)InChIKey: MTVWIZYQYPRZGZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
(5)Std. InChIKey: MTVWIZYQYPRZGZ-UHFFFAOYSA-N

Product Name

2-(4-METHYLPHENYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID

4-Thiazolecarboxylicacid, 2-(4-methylphenyl)- Specification

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