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

• ChemBase ID: 300222
• Molecular Formular: C20H19NS
• Molecular Mass: 305.43656
• Monoisotopic Mass: 305.12382061
• SMILES: Cc1ccc(cc1)c1nc(cs1)c1ccc2c(c1)CCCC2
• Canonical SMILES: Cc1ccc(cc1)c1scc(n1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C20H19NS/c1-14-6-8-16(9-7-14)20-21-19(13-22-20)18-11-10-15-4-2-3-5-17(15)12-18/h6-13H,2-5H2,1H3
• InChIKey: SZRKBHGWZOAMML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(4-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
• Synonyms: 4-(5,6,7,8-Tetrahydro-2-naphthyl)-2-(4-tolyl)thiazole; 2-(4-Methylphenyl)-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Database IDs

• MDL Number: MFCD22683014

CALCULATED PROPERTIES

• Log P: 6.65556
• Molar Refractivity: 103.6556 cm^3
• Polarizability: 37.687786 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.6555037
• LogD (pH = 7.4): 6.6555595

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%