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

• ChemBase ID: 295553
• Molecular Formular: C10H9NS
• Molecular Mass: 175.25016
• Monoisotopic Mass: 175.04557029
• SMILES: Cc1csc(n1)c1ccccc1
• Canonical SMILES: Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C10H9NS/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-7H,1H3
• InChIKey: IPOHWQDCODUHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-phenyl-1,3-thiazole
• IUPAC Traditional name: 4-methyl-2-phenyl-1,3-thiazole
• Synonyms: 4-Methyl-2-phenylthiazole; 4-甲基-2-苯基噻唑

Database IDs

• CAS Number: 1826-17-1
• MDL Number: MFCD00272328
• PubChem SID: 180681084
• PubChem CID: 551876

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7877731
• LogD (pH = 7.4): 2.788174
• Log P: 2.788179
• Molar Refractivity: 60.9595 cm^3
• Polarizability: 20.14682 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%