5-(thiophen-2-ylsulfanyl)pyridin-2-amine

• ChemBase ID: 282303
• Molecular Formular: C9H8N2S2
• Molecular Mass: 208.30322
• Monoisotopic Mass: 208.01289027
• SMILES: c1(sccc1)Sc1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)Sc1cccs1
• InChI: InChI=1S/C9H8N2S2/c10-8-4-3-7(6-11-8)13-9-2-1-5-12-9/h1-6H,(H2,10,11)
• InChIKey: OUNHLGUTZLVSSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(thiophen-2-ylsulfanyl)pyridin-2-amine
• IUPAC Traditional name: 5-(thiophen-2-ylsulfanyl)pyridin-2-amine
• Synonyms: 5-(thiophen-2-ylsulfanyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11156142
• PubChem SID: 180667834
• PubChem CID: 28602798

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1827831
• LogD (pH = 7.4): 2.6448917
• Log P: 2.6562924
• Molar Refractivity: 57.8648 cm^3
• Polarizability: 21.864744 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 2.496

Product Information

• Purity: 95%