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64951-04-8

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Basic Information
CAS No.: 64951-04-8
Name: ETHYL IMIDAZO[2,1-B][1,3]THIAZOLE-6-CARBOXYLATE
Article Data: 13
Molecular Structure:
Molecular Structure of 64951-04-8 (ETHYL IMIDAZO[2,1-B][1,3]THIAZOLE-6-CARBOXYLATE)
Formula: C8H8N2O2S
Molecular Weight: 196.23
Synonyms: Ethyl imidazo[2,1-β]thiazole-6-carboxylate;Ethyl imidazo[2,1-β][1,3]thiazole-6-carboxylate;
Density: 1.42 g/cm3
Melting Point: 87 °C
PSA: 71.84000
LogP: 1.57250
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Specification

The IUPAC name of Imidazo[2,1-β]thiazole-6-carboxylicacid, ethyl ester is ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate. With the CAS registry number 64951-04-8, it is also named as Ethyl imidazo[2,1-β]thiazole-6-carboxylate. In addition, its molecular formula is C8H8N2O2S and its molecular weight is 196.23.

The other characteristics of Imidazo[2,1-β]thiazole-6-carboxylicacid, ethyl ester can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)XLogP3-AA: 2.4; (5)Rotatable Bond Count: 3; (6)Exact Mass: 196.030648; (7)MonoIsotopic Mass: 196.030648; (8)Topological Polar Surface Area: 71.8; (9)Heavy Atom Count: 13; (10)Complexity: 212; (11)Polar Surface Area: 71.84 Å2; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 51.18 cm3; (14)Molar Volume: 137.2 cm3; (15)Polarizability: 20.29×10-24cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.42 g/cm3; (18)Melting Point: 87 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1nc2sccn2c1
(2)InChI: InChI=1/C8H8N2O2S/c1-2-12-7(11)6-5-10-3-4-13-8(10)9-6/h3-5H,2H2,1H3
(3)InChIKey: PIURXAHSTOGOSU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H8N2O2S/c1-2-12-7(11)6-5-10-3-4-13-8(10)9-6/h3-5H,2H2,1H3
(5)Std. InChIKey: PIURXAHSTOGOSU-UHFFFAOYSA-N