3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide

• ChemBase ID: 234502
• Molecular Formular: C11H10FN3OS
• Molecular Mass: 251.2800032
• Monoisotopic Mass: 251.05286118
• SMILES: c1(sc(cc1N)c1ccc(cc1)F)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(cc1N)c1ccc(cc1)F
• InChI: InChI=1S/C11H10FN3OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(17-9)11(16)15-14/h1-5H,13-14H2,(H,15,16)
• InChIKey: YZKZAQNIVVQDSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
• IUPAC Traditional name: 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide
• Synonyms: 3-amino-5-(4-fluorophenyl)thiophene-2-carbohydrazide

Database IDs

• MDL Number: MFCD05273561
• PubChem SID: 164290412
• PubChem CID: 2110805

CALCULATED PROPERTIES

• Acid pKa: 15.245452
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.0472462
• LogD (pH = 7.4): 2.0479898
• Log P: 2.0479991
• Molar Refractivity: 66.3475 cm^3
• Polarizability: 25.003794 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.044

Product Information

• Purity: 95%