3-(4-methylphenyl)thiophene-2-carbohydrazide

• ChemBase ID: 250120
• Molecular Formular: C12H12N2OS
• Molecular Mass: 232.30148
• Monoisotopic Mass: 232.06703401
• SMILES: c1(c(c2ccc(cc2)C)ccs1)C(=O)NN
• Canonical SMILES: NNC(=O)c1sccc1c1ccc(cc1)C
• InChI: InChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-6-7-16-11(10)12(15)14-13/h2-7H,13H2,1H3,(H,14,15)
• InChIKey: SGXAXHVXLHKMQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)thiophene-2-carbohydrazide
• IUPAC Traditional name: 3-(4-methylphenyl)thiophene-2-carbohydrazide
• Synonyms: 3-(4-methylphenyl)thiophene-2-carbohydrazide

Database IDs

• MDL Number: MFCD07339277
• PubChem SID: 164306030
• PubChem CID: 7130678

CALCULATED PROPERTIES

• Acid pKa: 14.270154
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.600342
• LogD (pH = 7.4): 2.600931
• Log P: 2.6009386
• Molar Refractivity: 66.6878 cm^3
• Polarizability: 25.9666 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 270 - 273°C
• Hydrophobicity(logP): 1.99

Product Information

• Purity: 95%