CAS No.300831-06-5,4-Isopropylthiazole-2-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	300831-06-5
Name:	4-Isopropylthiazole-2-carboxylic acid
Article Data:	7

Formula:	C₇H₉NO₂S
Molecular Weight:	171.22
Synonyms:	4-Isopropylthiazole-2-carboxylicacid;4-(propan-2-yl)-1,3-thiazole-2-carboxylic acid;
Density:	1.271 g/cm³
Boiling Point:	309.418 °C at 760 mmHg
Flash Point:	140.931 °C
PSA:	78.43000
LogP:	1.96470

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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