1-hydrazinyl-4-(thiophen-2-yl)phthalazine

• ChemBase ID: 230473
• Molecular Formular: C12H10N4S
• Molecular Mass: 242.2996
• Monoisotopic Mass: 242.06261734
• SMILES: c1(nnc(c2c1cccc2)NN)c1sccc1
• Canonical SMILES: NNc1nnc(c2c1cccc2)c1cccs1
• InChI: InChI=1S/C12H10N4S/c13-14-12-9-5-2-1-4-8(9)11(15-16-12)10-6-3-7-17-10/h1-7H,13H2,(H,14,16)
• InChIKey: NVRQMGBYAQSPCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinyl-4-(thiophen-2-yl)phthalazine
• IUPAC Traditional name: 1-hydrazinyl-4-(thiophen-2-yl)phthalazine
• Synonyms: (4-Thiophen-2-yl-phthalazin-1-yl)-hydrazine

Database IDs

• MDL Number: MFCD06660653
• PubChem SID: 164286383
• PubChem CID: 3792464

CALCULATED PROPERTIES

• Acid pKa: 17.779469
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2457592
• LogD (pH = 7.4): 2.5556183
• Log P: 2.561604
• Molar Refractivity: 71.8889 cm^3
• Polarizability: 28.271807 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.049

Product Information

• Purity: 95%