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64951-05-9

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Basic Information
CAS No.: 64951-05-9
Name: ETHYL IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE-2-CARBOXYLATE
Article Data: 18
Molecular Structure:
Molecular Structure of 64951-05-9 (ETHYL IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE-2-CARBOXYLATE)
Formula: C12H10N2O2S
Molecular Weight: 246.29
Synonyms: Ethyl imidazo[2,1-b]benzothiazole-2-carboxylate;
Density: 1.42 g/cm3
Melting Point: 81 °C
PSA: 71.84000
LogP: 2.72570
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Specification

The Imidazo[2, 1-b]benzothiazole-2-carboxylicacid, ethyl ester, with the CAS registry number 64951-05-9, is also known as Benzo[d]imidazo[2, 1-b]thiazole-2-carboxylic acid ethyl ester. This chemical's molecular formula is C12H10N2O2S and molecular weight is 246.29. What's more, its systematic name is Ethyl imidazo[2, 1-b][1, 3]benzothiazole-2-carboxylate.

Physical properties about Imidazo[2, 1-b]benzothiazole-2-carboxylicacid, ethyl ester are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 71.84 Å2; (7)Index of Refraction: 1.701; (8)Molar Refractivity: 67.07 cm3; (9)Molar Volume: 173.1 cm3; (10)Polarizability: 26.59×10-24 cm3; (11)Surface Tension: 56 dyne/cm; (12)Density: 1.42 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2nc3sc1ccccc1n3c2
(2) InChI: InChI=1/C12H10N2O2S/c1-2-16-11(15)8-7-14-9-5-3-4-6-10(9)17-12(14)13-8/h3-7H,2H2,1H3
(3) InChIKey: REOXQBVMMDCPSB-UHFFFAOYAS