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

• ChemBase ID: 247959
• Molecular Formular: C5H7Br2NS
• Molecular Mass: 272.98878
• Monoisotopic Mass: 270.86659423
• SMILES: c1(nccs1)C(Br)C.Br
• Canonical SMILES: CC(c1nccs1)Br.Br
• InChI: InChI=1S/C5H6BrNS.BrH/c1-4(6)5-7-2-3-8-5;/h2-4H,1H3;1H
• InChIKey: OKXLPHZPORAYCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303869
• PubChem CID: 71758345

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0464993
• LogD (pH = 7.4): 2.046704
• Log P: 2.0467067
• Molar Refractivity: 37.9377 cm^3
• Polarizability: 14.665837 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.797

Product Information

• Purity: 95%