6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole

• ChemBase ID: 293311
• Molecular Formular: C6H3F3N2S
• Molecular Mass: 192.1616296
• Monoisotopic Mass: 191.99690377
• SMILES: FC(c1cn2c(scc2)n1)(F)F
• Canonical SMILES: FC(c1nc2n(c1)ccs2)(F)F
• InChI: InChI=1S/C6H3F3N2S/c7-6(8,9)4-3-11-1-2-12-5(11)10-4/h1-3H
• InChIKey: GUVJALXXDXFZPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
• Synonyms: 6-(Trifluoromethyl)imidazo[2,1-b]thiazole

Database IDs

• CAS Number: 109113-98-6
• MDL Number: MFCD12828656
• PubChem SID: 180678842
• PubChem CID: 11084696

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1258945
• LogD (pH = 7.4): 2.1259987
• Log P: 2.126
• Molar Refractivity: 49.1141 cm^3
• Polarizability: 13.468992 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%