6-(pyridin-2-ylsulfanyl)pyridin-3-amine

• ChemBase ID: 264826
• Molecular Formular: C10H9N3S
• Molecular Mass: 203.26356
• Monoisotopic Mass: 203.0517183
• SMILES: S(c1ncc(N)cc1)c1ncccc1
• Canonical SMILES: Nc1ccc(nc1)Sc1ccccn1
• InChI: InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,11H2
• InChIKey: XWNFGZLXUDSFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-2-ylsulfanyl)pyridin-3-amine
• IUPAC Traditional name: 6-(pyridin-2-ylsulfanyl)pyridin-3-amine
• Synonyms: 6-(pyridin-2-ylsulfanyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD00829041
• PubChem SID: 164320736
• PubChem CID: 2801428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0856388
• LogD (pH = 7.4): 2.086627
• Log P: 2.0866396
• Molar Refractivity: 59.7557 cm^3
• Polarizability: 22.321337 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.202

Product Information

• Purity: 95%