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| CAS No.: | 17782-81-9 |
|---|---|
| Name: | Imidazo[2,1-b]thiazole-5-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C6H4N2O2S |
| Molecular Weight: | 168.176 |
| Synonyms: | Imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;Imidazo[2,1-b]thiazole-5-carboxylic acid;Imidazo[2,1-b]thiazole-5-carboxylicacid;LogP |
| Density: | 1.74g/cm3 |
| PSA: | 82.84000 |
| LogP: | 1.09400 |
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Specification
The Imidazo[2,1-b]thiazole-5-carboxylic acid, with CAS registry number 17782-81-9, has the systematic name of imidazo[2,1-b][1,3]thiazole-5-carboxylic acid. Its molecular weight is 168.176. And the chemical formula of this chemical is C6H4N2O2S.
Physical properties of Imidazo[2,1-b]thiazole-5-carboxylic acid: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 82.84 Å2; (7)Index of Refraction: 1.808; (8)Molar Refractivity: 41.61 cm3; (9)Molar Volume: 96.5 cm3; (10)Polarizability: 16.49×10-24cm3; (11)Surface Tension: 82.5 dyne/cm; (12)Density: 1.74 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cnc2sccn12
(2)InChI: InChI=1/C6H4N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h1-3H,(H,9,10)
(3)InChIKey: ZGIABSKPSCMXFD-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H4N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h1-3H,(H,9,10)
(5)Std. InChIKey: ZGIABSKPSCMXFD-UHFFFAOYSA-N