2-bromo-5-iodo-1,3-thiazole

• ChemBase ID: 287684
• Molecular Formular: C3HBrINS
• Molecular Mass: 289.92021
• Monoisotopic Mass: 288.80578004
• SMILES: Ic1cnc(Br)s1
• Canonical SMILES: Ic1cnc(s1)Br
• InChI: InChI=1S/C3HBrINS/c4-3-6-1-2(5)7-3/h1H
• InChIKey: MWJCQTBRSKINNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-iodo-1,3-thiazole
• IUPAC Traditional name: 2-bromo-5-iodo-1,3-thiazole
• Synonyms: 2-Bromo-5-iodothiazole

Database IDs

• CAS Number: 108306-63-4
• PubChem SID: 180673215
• PubChem CID: 13662077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7910454
• LogD (pH = 7.4): 2.7910461
• Log P: 2.7910461
• Molar Refractivity: 41.4136 cm^3
• Polarizability: 16.941324 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%