6-aminopyridine-2-thiol

• ChemBase ID: 799138
• Molecular Formular: C5H6N2S
• Molecular Mass: 126.17954
• Monoisotopic Mass: 126.0251692
• SMILES: n1c(cccc1N)S
• Canonical SMILES: Nc1cccc(n1)S
• InChI: InChI=1S/C5H6N2S/c6-4-2-1-3-5(8)7-4/h1-3H,(H3,6,7,8)
• InChIKey: IRMILVGRVWZEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-2-thiol
• IUPAC Traditional name: 6-aminopyridine-2-thiol
• Synonyms: 6-aminopyridine-2-thiol

Database IDs

• CAS Number: 741198-44-7

CALCULATED PROPERTIES

• Acid pKa: 7.8077254
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2066662
• LogD (pH = 7.4): 1.0717335
• Log P: 1.2087697
• Molar Refractivity: 37.2383 cm^3
• Polarizability: 13.623981 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%