4-(cyclopentylsulfanyl)aniline

• ChemBase ID: 255672
• Molecular Formular: C11H15NS
• Molecular Mass: 193.3085
• Monoisotopic Mass: 193.09252049
• SMILES: S(c1ccc(N)cc1)C1CCCC1
• Canonical SMILES: Nc1ccc(cc1)SC1CCCC1
• InChI: InChI=1S/C11H15NS/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4,12H2
• InChIKey: OBTFPHQRXXYKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylsulfanyl)aniline
• IUPAC Traditional name: 4-(cyclopentylsulfanyl)aniline
• Synonyms: 4-(cyclopentylthio)aniline

Database IDs

• MDL Number: MFCD09971642
• PubChem SID: 164311582
• PubChem CID: 28819332

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8763404
• LogD (pH = 7.4): 2.919109
• Log P: 2.919683
• Molar Refractivity: 60.0289 cm^3
• Polarizability: 23.011778 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.946

Product Information

• Purity: 95%