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

• ChemBase ID: 250396
• Molecular Formular: C12H13N3O2S
• Molecular Mass: 263.31552
• Monoisotopic Mass: 263.07284767
• SMILES: c1(sc(cc1N)c1ccc(cc1)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(cc1N)c1ccc(cc1)OC
• InChI: InChI=1S/C12H13N3O2S/c1-17-8-4-2-7(3-5-8)10-6-9(13)11(18-10)12(16)15-14/h2-6H,13-14H2,1H3,(H,15,16)
• InChIKey: NENIEAAZERKIKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06808952
• PubChem SID: 164306306
• PubChem CID: 7131039

CALCULATED PROPERTIES

• Acid pKa: 15.260704
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.7468712
• LogD (pH = 7.4): 1.7476165
• Log P: 1.7476261
• Molar Refractivity: 72.5943 cm^3
• Polarizability: 27.84128 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.825

Product Information

• Purity: 95%