2-methyl-5-phenyl-1,3-thiazole

• ChemBase ID: 292294
• Molecular Formular: C10H9NS
• Molecular Mass: 175.25016
• Monoisotopic Mass: 175.04557029
• SMILES: Cc1ncc(s1)c1ccccc1
• Canonical SMILES: Cc1ncc(s1)c1ccccc1
• InChI: InChI=1S/C10H9NS/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3
• InChIKey: CUSBYOCOULLZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19968-60-6
• PubChem SID: 180677825
• PubChem CID: 12367510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3954763
• LogD (pH = 7.4): 2.3989897
• Log P: 2.3990347
• Molar Refractivity: 50.6274 cm^3
• Polarizability: 20.852396 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%