2-(cyclopentylsulfanyl)aniline

• ChemBase ID: 256231
• Molecular Formular: C11H15NS
• Molecular Mass: 193.3085
• Monoisotopic Mass: 193.09252049
• SMILES: S(c1c(N)cccc1)C1CCCC1
• Canonical SMILES: Nc1ccccc1SC1CCCC1
• InChI: InChI=1S/C11H15NS/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
• InChIKey: BLPGHIAZWJCNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylsulfanyl)aniline
• IUPAC Traditional name: 2-(cyclopentylsulfanyl)aniline
• Synonyms: 2-(cyclopentylthio)aniline

Database IDs

• MDL Number: MFCD09939963
• PubChem SID: 164312141
• PubChem CID: 24700926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9141455
• LogD (pH = 7.4): 2.919613
• Log P: 2.919683
• Molar Refractivity: 60.0289 cm^3
• Polarizability: 23.01652 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%