4-amino-1,2-dihydropyridine-2-thione

• ChemBase ID: 107534
• Molecular Formular: C5H6N2S
• Molecular Mass: 126.17954
• Monoisotopic Mass: 126.0251692
• SMILES: Nc1cc(=S)[nH]cc1
• Canonical SMILES: Nc1cc[nH]c(=S)c1
• InChI: InChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
• InChIKey: OZKUGIVLHQMDCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1,2-dihydropyridine-2-thione
• IUPAC Traditional name: 4-amino-1H-pyridine-2-thione
• Synonyms: 4-AMINO-2-THIOPYRIDINE

Database IDs

• PubChem SID: 162106055
• PubChem CID: 15089585

CALCULATED PROPERTIES

• Log P: -0.12946299
• Molar Refractivity: 39.586 cm^3
• Polarizability: 14.446377 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.6786585
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.12981945
• LogD (pH = 7.4): -0.12966995

DETAILS

MP Biomedicals - 05204093

MP Biomedicals Rare Chemical collection