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| CAS No.: | 35272-15-2 |
|---|---|
| Name: | 2-Methyl-1,3-thiazole-4-carboxylic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C5H5NO2S |
| Molecular Weight: | 143.166 |
| Synonyms: | 2-Methyl-4-thiazolecarboxylic acid;NSC 140907; |
| Density: | 1.418 g/cm3 |
| Melting Point: | 148 °C |
| Boiling Point: | 301.2 °C at 760 mmHg |
| Flash Point: | 136 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 78.43000 |
| LogP: | 1.14970 |
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Specification
The 4-Thiazolecarboxylicacid, 2-methyl-, with the CAS registry number 35272-15-2, is also known as 2-Methyl-4-thiazolecarboxylic acid. It belongs to the product categories of Carboxylic Acids; Thiazoles, Isothiazoles &Benzothiazoles; Thiazole; Carboxylic Acids; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks. This chemical's molecular formula is C5H5NO2S and molecular weight is 143.16. What's more, its systematic name is 2-methyl-1,3-thiazole-4-carboxylic acid.
Physical properties of 4-Thiazolecarboxylicacid, 2-methyl- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 34.48 cm3; (13)Molar Volume: 100.9 cm3; (14)Polarizability: 13.67×10-24cm3; (15)Surface Tension: 62.9 dyne/cm; (16)Density: 1.418 g/cm3; (17)Flash Point: 136 °C; (18)Enthalpy of Vaporization: 57.17 kJ/mol; (19)Boiling Point: 301.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000473 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(sc1)C
(2)Std. InChI: InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
(3)Std. InChIKey: ZHDRDZMTEOIWSX-UHFFFAOYSA-N