2-bromo-5-methyl-4-phenyl-1,3-thiazole hydrochloride

• ChemBase ID: 123985
• Molecular Formular: C10H9BrClNS
• Molecular Mass: 290.60716
• Monoisotopic Mass: 288.93275997
• SMILES: n1c(c(sc1Br)C)c1ccccc1.Cl
• Canonical SMILES: Brc1sc(c(n1)c1ccccc1)C.Cl
• InChI: InChI=1S/C10H8BrNS.ClH/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8;/h2-6H,1H3;1H
• InChIKey: QHNFUWOAQHXVFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methyl-4-phenyl-1,3-thiazole hydrochloride
• IUPAC Traditional name: 2-bromo-5-methyl-4-phenyl-1,3-thiazole hydrochloride
• Synonyms: 2-bromo-5-methyl-4-phenylthiazole hydrochloride

Database IDs

• PubChem SID: 162218338
• PubChem CID: 51051931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3750386
• LogD (pH = 7.4): 4.375042
• Log P: 4.3750424
• Molar Refractivity: 58.7117 cm^3
• Polarizability: 23.61155 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl