3-amino-5-phenylthiophene-2-carbohydrazide

• ChemBase ID: 234667
• Molecular Formular: C11H11N3OS
• Molecular Mass: 233.28954
• Monoisotopic Mass: 233.06228299
• SMILES: c1(sc(cc1N)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(cc1N)c1ccccc1
• InChI: InChI=1S/C11H11N3OS/c12-8-6-9(7-4-2-1-3-5-7)16-10(8)11(15)14-13/h1-6H,12-13H2,(H,14,15)
• InChIKey: ROKLCALOHFBIDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-phenylthiophene-2-carbohydrazide
• IUPAC Traditional name: 3-amino-5-phenylthiophene-2-carbohydrazide
• Synonyms: 3-amino-5-phenylthiophene-2-carbohydrazide

Database IDs

• MDL Number: MFCD06335782
• PubChem SID: 164290577
• PubChem CID: 2117574

CALCULATED PROPERTIES

• Acid pKa: 15.230355
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.9045461
• LogD (pH = 7.4): 1.9052879
• Log P: 1.9052973
• Molar Refractivity: 66.1311 cm^3
• Polarizability: 25.322063 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.89

Product Information

• Purity: 95%