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CAS No.: | 75001-31-9 |
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Name: | 6-METHYL-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H6N2OS |
Molecular Weight: | 166.203 |
Synonyms: | 5-Formyl-6-methylimidazo[2,1-b]thiazole;NSC 315206; |
Density: | 1.45 g/cm3 |
Melting Point: | 140-142 °C(Solv: ligroine (8032-32-4)) |
PSA: | 62.61000 |
LogP: | 1.51670 |
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The Imidazo[2,1-b]thiazole-5-carboxaldehyde,6-methyl-, with the CAS registry number 75001-31-9, is also known as 6-Methyl-imidazo[2,1-b]thiazole-5-carbaldehyde. It belongs to the product categories of Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. This chemical's molecular formula is C7H6N2OS and molecular weight is 166.20. What's more, both its IUPAC name and systematic name are the same which is called 6-Methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde. It is used in the preparation of dihydropyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors for treating HIV infection.
Physical properties about Imidazo[2,1-b]thiazole-5-carboxaldehyde,6-methyl- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 62.61 Å2; (7)Index of Refraction: 1.719; (8)Molar Refractivity: 45.19 cm3; (9)Molar Volume: 114.5 cm3; (10)Surface Tension: 58.3 dyne/cm; (11)Density: 1.45 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1n2ccsc2nc1C
(2) InChI: InChI=1S/C7H6N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h2-4H,1H3
(3) InChIKey: MCWDDAAVFNMHKO-UHFFFAOYSA-N