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3161-68-0

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Basic Information
CAS No.: 3161-68-0
Name: Ethyl 4-Methyl-2-(MethylaMino)thiazole-5-carboxylate
Article Data: 10
Molecular Structure:
Molecular Structure of 3161-68-0 (Ethyl 4-Methyl-2-(MethylaMino)thiazole-5-carboxylate)
Formula: C8H12N2O2S
Molecular Weight: 200.2581
Synonyms: 5-Thiazolecarboxylic acid, 4-methyl-2-(methylamino)-, ethyl ester
Density: 1.234 g/cm3
Boiling Point: 290.9 °C at 760 mmHg
Flash Point: 129.7 °C
PSA: 79.46000
LogP: 1.74290
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Specification

The 5-Thiazolecarboxylic acid, 4-methyl-2-(methylamino)-, ethyl ester is an organic compound with the formula C8H12N2O2S. With the CAS registry number 3161-68-0, the systematic name of this chemical is ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate.

Physical properties about 5-Thiazolecarboxylic acid, 4-methyl-2-(methylamino)-, ethyl ester are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 7.36; (5)ACD/BCF (pH 7.4): 8.77; (6)ACD/KOC (pH 5.5): 138.04; (7)ACD/KOC (pH 7.4): 164.55; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 70.67 Å2; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 53.56 cm3; (14)Molar Volume: 162.2 cm3; (15)Polarizability: 21.23×10-24cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 129.7 °C; (19)Enthalpy of Vaporization: 53.03 kJ/mol; (20)Boiling Point: 290.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00201 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(nc1C)NC
(2)InChI: InChI=1/C8H12N2O2S/c1-4-12-7(11)6-5(2)10-8(9-3)13-6/h4H2,1-3H3,(H,9,10)
(3)InChIKey: IBNKTVVCYGHPGD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H12N2O2S/c1-4-12-7(11)6-5(2)10-8(9-3)13-6/h4H2,1-3H3,(H,9,10)
(5)Std. InChIKey: IBNKTVVCYGHPGD-UHFFFAOYSA-N