2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid supplier

Name
2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 221322-07-2
Article Data4
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₄S
Boiling Point 380.791 °C at 760 mmHg
Molecular Weight 243.28
Flash Point 184.096 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid;
PSA 104.73000
LogP 1.93060

2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid Specification

The cas register number of 2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid is 221322-07-2. It also can be called as 4-Thiazolecarboxylicacid, 2-[(2,2-dimethyl-1-oxopropoxy)methyl]- and the Systematic name about this chemical is 2-(2,2-dimethylpropanoyloxymethyl)thiazole-4-carboxylic acid.

Physical properties about 2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 104.73Å²; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 59.48 cm³; (13)Molar Volume: 187.041 cm³; (14)Polarizability: 23.58x10^-24cm³; (15)Surface Tension: 51.999 dyne/cm; (16)Enthalpy of Vaporization: 66.348 kJ/mol; (17)Boiling Point: 380.791 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C(=O)OCc1nc(cs1)C(=O)O
(2)InChI: InChI=1/C10H13NO4S/c1-10(2,3)9(14)15-4-7-11-6(5-16-7)8(12)13/h5H,4H2,1-3H3,(H,12,13)
(3)InChIKey: UFIUMDMAMPMTQG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H13NO4S/c1-10(2,3)9(14)15-4-7-11-6(5-16-7)8(12)13/h5H,4H2,1-3H3,(H,12,13)
(5)Std. InChIKey: UFIUMDMAMPMTQG-UHFFFAOYSA-N

Product Name

2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-THIAZOLE-4-CARBOXYLIC ACID

2-(2,2-Dimethylpropionyloxymethyl)thiazole-4-carboxylic acid Specification

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