2-(bromomethyl)-1,3-thiazole hydrobromide

• ChemBase ID: 292812
• Molecular Formular: C4H5Br2NS
• Molecular Mass: 258.9622
• Monoisotopic Mass: 256.85094417
• SMILES: BrCc1nccs1.Br
• Canonical SMILES: BrCc1nccs1.Br
• InChI: InChI=1S/C4H4BrNS.BrH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H
• InChIKey: ATUWKVUADULYLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1,3-thiazole hydrobromide
• IUPAC Traditional name: 2-(bromomethyl)-1,3-thiazole hydrobromide
• Synonyms: 2-(Bromomethyl)thiazole hydrobromide

Database IDs

• CAS Number: 1263378-94-4
• PubChem SID: 180678343
• PubChem CID: 53407595

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4777024
• LogD (pH = 7.4): 1.4779394
• Log P: 1.4779423
• Molar Refractivity: 33.4438 cm^3
• Polarizability: 12.881208 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%