thieno[3,2-c]pyridin-4-ylhydrazine

• ChemBase ID: 259826
• Molecular Formular: C7H7N3S
• Molecular Mass: 165.21558
• Monoisotopic Mass: 165.03606824
• SMILES: c12c(nccc1scc2)NN
• Canonical SMILES: NNc1nccc2c1ccs2
• InChI: InChI=1S/C7H7N3S/c8-10-7-5-2-4-11-6(5)1-3-9-7/h1-4H,8H2,(H,9,10)
• InChIKey: RFRPZHUSVWSBPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-c]pyridin-4-ylhydrazine
• IUPAC Traditional name: thieno[3,2-c]pyridin-4-ylhydrazine
• Synonyms: thieno[3,2-c]pyridin-4-ylhydrazine

Database IDs

• CAS Number: 27685-95-6
• MDL Number: MFCD01861877
• PubChem SID: 164315736
• PubChem CID: 28286306

CALCULATED PROPERTIES

• Acid pKa: 19.950802
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3191024
• LogD (pH = 7.4): 1.4071407
• Log P: 1.6176983
• Molar Refractivity: 47.2614 cm^3
• Polarizability: 18.162405 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%