3-aminothieno[2,3-b]pyridine-2-carbohydrazide

• ChemBase ID: 33916
• Molecular Formular: C8H8N4OS
• Molecular Mass: 208.24032
• Monoisotopic Mass: 208.0418819
• SMILES: c1(sc2c(c1N)cccn2)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc2c(c1N)cccn2
• InChI: InChI=1S/C8H8N4OS/c9-5-4-2-1-3-11-8(4)14-6(5)7(13)12-10/h1-3H,9-10H2,(H,12,13)
• InChIKey: OUWZLWNYPMYNNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminothieno[2,3-b]pyridine-2-carbohydrazide
• IUPAC Traditional name: 3-aminothieno[2,3-b]pyridine-2-carbohydrazide
• Synonyms: 3-Aminothieno[2,3-b]pyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD08142645
• PubChem SID: 160997223
• PubChem CID: 8027126

CALCULATED PROPERTIES

• Acid pKa: 15.132416
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.50602627
• LogD (pH = 7.4): 0.5067293
• Log P: 0.5067383
• Molar Refractivity: 55.2408 cm^3
• Polarizability: 20.373837 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false