5-aminopyridine-3-carbothioamide

• ChemBase ID: 292542
• Molecular Formular: C6H7N3S
• Molecular Mass: 153.20488
• Monoisotopic Mass: 153.03606824
• SMILES: S=C(c1cc(N)cnc1)N
• Canonical SMILES: Nc1cncc(c1)C(=S)N
• InChI: InChI=1S/C6H7N3S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,7H2,(H2,8,10)
• InChIKey: NALLSUJZLCDRJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-3-carbothioamide
• IUPAC Traditional name: 5-aminopyridine-3-carbothioamide
• Synonyms: 5-Aminopyridine-3-carbothioamide

Database IDs

• CAS Number: 1355610-88-6
• PubChem SID: 180678073
• PubChem CID: 70701033

CALCULATED PROPERTIES

• Acid pKa: 11.584595
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.40955523
• LogD (pH = 7.4): -0.3338989
• Log P: -0.33284268
• Molar Refractivity: 45.6708 cm^3
• Polarizability: 16.774452 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%