2-methyl-4-{4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl}-1,3-thiazole

• ChemBase ID: 299973
• Molecular Formular: C20H16N2S2
• Molecular Mass: 348.48444
• Monoisotopic Mass: 348.07549052
• SMILES: Cc1scc(n1)c1ccc(cc1)c1ccc(cc1)c1nc(sc1)C
• Canonical SMILES: Cc1scc(n1)c1ccc(cc1)c1ccc(cc1)c1csc(n1)C
• InChI: InChI=1S/C20H16N2S2/c1-13-21-19(11-23-13)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-12-24-14(2)22-20/h3-12H,1-2H3
• InChIKey: KDRHDICTKGBJEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-{4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl}-1,3-thiazole
• IUPAC Traditional name: 2-methyl-4-{4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl}-1,3-thiazole
• Synonyms: 4,4'-Bis(2-methyl-4-thiazolyl)biphenyl

Database IDs

• MDL Number: MFCD22682944
• PubChem SID: 180685504
• PubChem CID: 73996309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2493963
• LogD (pH = 7.4): 5.2503257
• Log P: 5.2503376
• Molar Refractivity: 100.0208 cm^3
• Polarizability: 42.36522 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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%