3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide

• ChemBase ID: 249693
• Molecular Formular: C10H12N4OS
• Molecular Mass: 236.29348
• Monoisotopic Mass: 236.07318202
• SMILES: c1(c(c2c(s1)nc(cc2C)C)N)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc2c(c1N)c(C)cc(n2)C
• InChI: InChI=1S/C10H12N4OS/c1-4-3-5(2)13-10-6(4)7(11)8(16-10)9(15)14-12/h3H,11-12H2,1-2H3,(H,14,15)
• InChIKey: FOUODUVGPUPSNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
• IUPAC Traditional name: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
• Synonyms: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide

Database IDs

• CAS Number: 128918-28-5
• MDL Number: MFCD02315560
• PubChem SID: 164305603
• PubChem CID: 736355

CALCULATED PROPERTIES

• Acid pKa: 15.130949
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.1507612
• LogD (pH = 7.4): 1.1515201
• Log P: 1.1515299
• Molar Refractivity: 64.8735 cm^3
• Polarizability: 23.886984 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245 - 247°C
• Hydrophobicity(logP): 1.508

Product Information

• Purity: 95%