(4-aminophenyl)(thiophen-2-yl)methanol

• ChemBase ID: 306661
• Molecular Formular: C11H11NOS
• Molecular Mass: 205.27614
• Monoisotopic Mass: 205.05613498
• SMILES: c1(sccc1)C(c1ccc(N)cc1)O
• Canonical SMILES: Nc1ccc(cc1)C(c1cccs1)O
• InChI: InChI=1S/C11H11NOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11,13H,12H2
• InChIKey: XXLWYSCBAVIWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminophenyl)(thiophen-2-yl)methanol
• IUPAC Traditional name: (4-aminophenyl)(thiophen-2-yl)methanol
• Synonyms: (4-aminophenyl)(2-thienyl)methanol

Database IDs

• CAS Number: 915919-62-9
• MDL Number: MFCD08059741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0543447
• LogD (pH = 7.4): 2.0738368
• Log P: 2.0740917
• Molar Refractivity: 58.747 cm^3
• Polarizability: 22.1636 Å^3
• Polar Surface Area: 46.25 Å^2