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5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)-

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Name

5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)-

EINECS N/A
CAS No. 144060-98-0 Density 1.161 g/cm3
PSA 91.32000 LogP 2.21170
Solubility N/A Melting Point 254.5 °C
Formula C10H8N2O2S Boiling Point 310.049 °C at 760 mmHg
Molecular Weight 220.252 Flash Point 141.313 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 144060-98-0 (4-methyl-2-pyrid-4-yl-1,3-thiazole-5-carboxylic acid) Hazard Symbols IrritantXi
Synonyms

4-Methyl-2-pyridin-4-yl-thiazole-5-carboxylic acid;

Article Data 3

5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)- Specification

The 5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)-, with the CAS registry number 144060-98-0, is also known as 4-Methyl-2-pyridin-4-yl-thiazole-5-carboxylic acid. It belongs to the product categories of C9 to C46 Chemical Synthesis; Heterocyclic Building Blocks; Heterocyclic Building BlocksBuilding Blocks; New Products for Chemical Synthesis; Pyridines;Thiazoles. This chemical's molecular formula is C10H8N2O2S and molecular weight is 220.24772. What's more, its systematic name is 4-Methyl-2-(pyridin-4-yl)-1, 3-thiazole-5-carboxylic acid.

Physical properties about 5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 231; (8)ACD/KOC (pH 7.4): 231; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 62.586 cm3; (15)Molar Volume: 192.263 cm3; (16)Polarizability: 24.811×10-24 cm3; (17)Surface Tension: 45.255 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 141.313 °C; (20)Enthalpy of Vaporization: 58.162 kJ/mol; (21)Boiling Point: 310.049 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1sc(nc1C)c2ccncc2
(2) InChI: InChI=1/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
(3) InChIKey: WAIPVXWDQQHMQG-UHFFFAOYAI

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