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

• ChemBase ID: 68184
• Molecular Formular: C3HBrClNS
• Molecular Mass: 198.46874
• Monoisotopic Mass: 196.87015972
• SMILES: s1c(ncc1Cl)Br
• Canonical SMILES: Clc1cnc(s1)Br
• InChI: InChI=1S/C3HBrClNS/c4-3-6-1-2(5)7-3/h1H
• InChIKey: FYKOEXGDJNPHQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloro-1,3-thiazole
• IUPAC Traditional name: 2-bromo-5-chloro-1,3-thiazole
• Synonyms: 2-Bromo-5-chlorothiazole

Database IDs

• CAS Number: 16629-15-5
• MDL Number: MFCD09909626
• PubChem SID: 162033916
• PubChem CID: 18519960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4661455
• LogD (pH = 7.4): 2.4661462
• Log P: 2.4661465
• Molar Refractivity: 32.8559 cm^3
• Polarizability: 13.35288 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%