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

• ChemBase ID: 234883
• Molecular Formular: C11H10ClN3OS
• Molecular Mass: 267.7346
• Monoisotopic Mass: 267.02331064
• SMILES: c1(sc(cc1N)c1ccc(cc1)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(cc1N)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H10ClN3OS/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: MPDFAMPLLOPPNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06337039
• PubChem SID: 164290793
• PubChem CID: 2120328

CALCULATED PROPERTIES

• Acid pKa: 15.228997
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.508591
• LogD (pH = 7.4): 2.5093324
• Log P: 2.509342
• Molar Refractivity: 70.9359 cm^3
• Polarizability: 27.200628 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.614

Product Information

• Purity: 95%