thieno[3,2-c]pyridine-6-carbohydrazide

• ChemBase ID: 242265
• Molecular Formular: C8H7N3OS
• Molecular Mass: 193.22568
• Monoisotopic Mass: 193.03098286
• SMILES: C(=O)(c1ncc2c(c1)scc2)NN
• Canonical SMILES: NNC(=O)c1ncc2c(c1)scc2
• InChI: InChI=1S/C8H7N3OS/c9-11-8(12)6-3-7-5(4-10-6)1-2-13-7/h1-4H,9H2,(H,11,12)
• InChIKey: ALLFEIWQABAIMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-c]pyridine-6-carbohydrazide
• IUPAC Traditional name: thieno[3,2-c]pyridine-6-carbohydrazide
• Synonyms: thieno[3,2-c]pyridine-6-carbohydrazide

Database IDs

• MDL Number: MFCD14704809
• PubChem SID: 164298175
• PubChem CID: 55281861

CALCULATED PROPERTIES

• Acid pKa: 13.994626
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.57102686
• LogD (pH = 7.4): 0.5716056
• Log P: 0.57161313
• Molar Refractivity: 50.4317 cm^3
• Polarizability: 19.86914 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 0.86

Product Information

• Purity: 95%