4-chloro-2-(cyclopentylsulfanyl)pyridine

• ChemBase ID: 796626
• Molecular Formular: C10H12ClNS
• Molecular Mass: 213.72698
• Monoisotopic Mass: 213.03789807
• SMILES: n1c(cc(cc1)Cl)SC1CCCC1
• Canonical SMILES: Clc1ccnc(c1)SC1CCCC1
• InChI: InChI=1S/C10H12ClNS/c11-8-5-6-12-10(7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2
• InChIKey: MTMYTUUMTNIBRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(cyclopentylsulfanyl)pyridine
• IUPAC Traditional name: 4-chloro-2-(cyclopentylsulfanyl)pyridine
• Synonyms: 4-Chloro-2-(cyclopentylthio)pyridine

Database IDs

• CAS Number: 1346707-37-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7291358
• LogD (pH = 7.4): 3.729435
• Log P: 3.7294388
• Molar Refractivity: 58.2899 cm^3
• Polarizability: 22.836578 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%