5-methyl-4-phenyl-2-(thiophen-2-yl)-1,3-thiazole

• ChemBase ID: 298733
• Molecular Formular: C14H11NS2
• Molecular Mass: 257.37384
• Monoisotopic Mass: 257.03329136
• SMILES: Cc1c(nc(s1)c1sccc1)c1ccccc1
• Canonical SMILES: Cc1sc(nc1c1ccccc1)c1cccs1
• InChI: InChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3
• InChIKey: GJCUAOPBECGQBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-phenyl-2-(thiophen-2-yl)-1,3-thiazole
• IUPAC Traditional name: 5-methyl-4-phenyl-2-(thiophen-2-yl)-1,3-thiazole
• Synonyms: 5-Methyl-4-phenyl-2-(2-thienyl)thiazole; 5-甲基-4-苯基-2-(2-噻吩基)噻唑

Database IDs

• MDL Number: MFCD06368612
• PubChem SID: 180684264
• PubChem CID: 2446133

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.112844
• LogD (pH = 7.4): 5.1128926
• Log P: 5.1128936
• Molar Refractivity: 83.0784 cm^3
• Polarizability: 29.792078 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%