2-(naphthalen-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole

• ChemBase ID: 300079
• Molecular Formular: C23H19NS
• Molecular Mass: 341.46866
• Monoisotopic Mass: 341.12382061
• SMILES: c1ccc2cc(ccc2c1)c1nc(cs1)c1ccc2c(c1)CCCC2
• Canonical SMILES: C1CCc2c(C1)ccc(c2)c1csc(n1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H19NS/c1-3-7-18-13-20(11-9-16(18)5-1)22-15-25-23(24-22)21-12-10-17-6-2-4-8-19(17)14-21/h2,4,6,8-15H,1,3,5,7H2
• InChIKey: ISODJAPESPIWDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(naphthalen-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
• Synonyms: 2-(2-Naphthyl)-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Database IDs

• MDL Number: MFCD22682973

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.131565
• LogD (pH = 7.4): 7.1316147
• Log P: 7.1316156
• Molar Refractivity: 115.0646 cm^3
• Polarizability: 43.552864 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: 26-37-60
• 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%