4-Isopropylthiazole-2-carboxylic acid supplier

Name
4-Isopropylthiazole-2-carboxylic acid
EINECS
CAS No. 300831-06-5
Article Data7
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point
Formula C₇H₉NO₂S
Boiling Point 309.418 °C at 760 mmHg
Molecular Weight 171.22
Flash Point 140.931 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Isopropylthiazole-2-carboxylicacid;4-(propan-2-yl)-1,3-thiazole-2-carboxylic acid;
PSA 78.43000
LogP 1.96470

4-Isopropylthiazole-2-carboxylic acid 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:
(1)SMILES: CC(C)c1csc(n1)C(=O)O
(2)InChI: InChI=1/C7H9NO2S/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)
(3)InChIKey: RDWHKWXYJQUZNS-UHFFFAOYAG

Product Name

4-Isopropylthiazole-2-carboxylic acid

4-Isopropylthiazole-2-carboxylic acid Specification

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