5-(4-fluorophenyl)-4-hydrazinylthieno[2,3-d]pyrimidine

• ChemBase ID: 238561
• Molecular Formular: C12H9FN4S
• Molecular Mass: 260.2900632
• Monoisotopic Mass: 260.05319553
• SMILES: c12c(csc1ncnc2NN)c1ccc(cc1)F
• Canonical SMILES: NNc1ncnc2c1c(cs2)c1ccc(cc1)F
• InChI: InChI=1S/C12H9FN4S/c13-8-3-1-7(2-4-8)9-5-18-12-10(9)11(17-14)15-6-16-12/h1-6H,14H2,(H,15,16,17)
• InChIKey: FIUCRKAZFZIXKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-4-hydrazinylthieno[2,3-d]pyrimidine
• IUPAC Traditional name: 5-(4-fluorophenyl)-4-hydrazinylthieno[2,3-d]pyrimidine
• Synonyms: 5-(4-fluorophenyl)-4-hydrazinothieno[2,3-d]pyrimidine

Database IDs

• MDL Number: MFCD00298154
• PubChem SID: 164294471
• PubChem CID: 2560321

CALCULATED PROPERTIES

• Acid pKa: 18.285389
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0470495
• LogD (pH = 7.4): 3.0688515
• Log P: 3.0692496
• Molar Refractivity: 71.3878 cm^3
• Polarizability: 27.21333 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.373

Product Information

• Purity: 95%