2-(thiophen-2-yl)aniline

• ChemBase ID: 88965
• Molecular Formular: C10H9NS
• Molecular Mass: 175.25016
• Monoisotopic Mass: 175.04557029
• SMILES: s1c(ccc1)c1c(cccc1)N
• Canonical SMILES: Nc1ccccc1c1cccs1
• InChI: InChI=1S/C10H9NS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H,11H2
• InChIKey: IIKZLOXDTZHOAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)aniline
• IUPAC Traditional name: 2-(thiophen-2-yl)aniline
• Synonyms: 2-(2-Aminophenyl)thiophene; 2-(Thien-2-yl)aniline 95%

Database IDs

• CAS Number: 62532-99-4
• MDL Number: MFCD04039147
• PubChem SID: 162075851
• PubChem CID: 4116097

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5644574
• LogD (pH = 7.4): 2.5686398
• Log P: 2.5686932
• Molar Refractivity: 52.7845 cm^3
• Polarizability: 21.119408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful