4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]aniline

• ChemBase ID: 299987
• Molecular Formular: C19H18N2S
• Molecular Mass: 306.42462
• Monoisotopic Mass: 306.11906959
• SMILES: c1cc(ccc1c1nc(cs1)c1ccc2c(c1)CCCC2)N
• Canonical SMILES: Nc1ccc(cc1)c1scc(n1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C19H18N2S/c20-17-9-7-14(8-10-17)19-21-18(12-22-19)16-6-5-13-3-1-2-4-15(13)11-16/h5-12H,1-4,20H2
• InChIKey: FZUVOSDHXZGGNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]aniline
• IUPAC Traditional name: 4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]aniline
• Synonyms: 2-(4-Aminophenyl)-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole

Database IDs

• MDL Number: MFCD22682947
• PubChem SID: 180685518
• PubChem CID: 73996314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.311092
• LogD (pH = 7.4): 5.313186
• Log P: 5.313213
• Molar Refractivity: 103.3148 cm^3
• Polarizability: 37.024593 Å^3
• Polar Surface Area: 38.91 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%