4-(thiolan-2-yl)pyridine

• ChemBase ID: 274228
• Molecular Formular: C9H11NS
• Molecular Mass: 165.25534
• Monoisotopic Mass: 165.06122036
• SMILES: S1C(c2ccncc2)CCC1
• Canonical SMILES: C1CSC(C1)c1ccncc1
• InChI: InChI=1S/C9H11NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h3-6,9H,1-2,7H2
• InChIKey: PTDLMLOSMYPGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiolan-2-yl)pyridine
• IUPAC Traditional name: 4-(thiolan-2-yl)pyridine
• Synonyms: 4-(thiolan-2-yl)pyridine

Database IDs

• MDL Number: MFCD18838759
• PubChem SID: 164330138
• PubChem CID: 13720666

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7741085
• LogD (pH = 7.4): 1.8829757
• Log P: 1.8846109
• Molar Refractivity: 48.7062 cm^3
• Polarizability: 19.136095 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.507

Product Information

• Purity: 95%