| Identification | |
| Name: | 2-Thiazolecarboxylicacid, 4-(1-methylethyl)- |
| Synonyms: | 4-Isopropylthiazole-2-carboxylicacid;4-(propan-2-yl)-1,3-thiazole-2-carboxylic acid; |
| CAS: | 300831-06-5 |
| Molecular Formula: | C7H9NO2S |
| Molecular Weight: | 171.22 |
| InChI: | InChI=1/C7H9NO2S/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.271 g/cm3 |
| Refractive index: | 1.564 |
| Specification: |
The 4-Isopropylthiazole-2-carboxylic acid, with the cas registry number 300831-06-5, has the systematic name of 4-(propan-2-yl)-1,3-thiazole-2-carboxylic acid. It belongs to the product categoty of Isopropyl. The molecular formula of the chemical is C7H9NO2S. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.61; (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: 2; (10)Polar Surface Area: 78.43 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 43.843 cm3; (13)Molar Volume: 134.739 cm3; (14)Polarizability: 17.381×10-24cm3; (15)Surface Tension: 51.961 dyne/cm; (16)Density: 1.271 g/cm3; (17)Flash Point: 140.931 °C; (18)Enthalpy of Vaporization: 58.09 kJ/mol; (19)Boiling Point: 309.418 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
