6-(4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidine

• ChemBase ID: 234891
• Molecular Formular: C12H9FN4S
• Molecular Mass: 260.2900632
• Monoisotopic Mass: 260.05319553
• SMILES: c12sc(cc1ncnc2NN)c1ccc(cc1)F
• Canonical SMILES: NNc1ncnc2c1sc(c2)c1ccc(cc1)F
• InChI: InChI=1S/C12H9FN4S/c13-8-3-1-7(2-4-8)10-5-9-11(18-10)12(17-14)16-6-15-9/h1-6H,14H2,(H,15,16,17)
• InChIKey: RFZYITSBCANCEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidine
• IUPAC Traditional name: 6-(4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidine
• Synonyms: 6-(4-fluorophenyl)-4-hydrazinothieno[3,2-d]pyrimidine

Database IDs

• MDL Number: MFCD06337040
• PubChem SID: 164290801
• PubChem CID: 2120329

CALCULATED PROPERTIES

• Acid pKa: 17.187927
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0368588
• LogD (pH = 7.4): 3.0828054
• Log P: 3.0843441
• Molar Refractivity: 70.8473 cm^3
• Polarizability: 27.876091 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239°C
• Hydrophobicity(logP): 3.793

Product Information

• Purity: 95%