5-ethyl-4-methylthiophene-2-carbohydrazide

• ChemBase ID: 233143
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c1(sc(c(c1)C)CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(c(s1)CC)C
• InChI: InChI=1S/C8H12N2OS/c1-3-6-5(2)4-7(12-6)8(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
• InChIKey: COOPMEJEXBXWBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-4-methylthiophene-2-carbohydrazide
• IUPAC Traditional name: 5-ethyl-4-methylthiophene-2-carbohydrazide
• Synonyms: 5-ethyl-4-methylthiophene-2-carbohydrazide

Database IDs

• MDL Number: MFCD06654998
• PubChem SID: 164289053
• PubChem CID: 3747829

CALCULATED PROPERTIES

• Acid pKa: 14.133844
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.043491
• LogD (pH = 7.4): 2.0441344
• Log P: 2.0441427
• Molar Refractivity: 51.1319 cm^3
• Polarizability: 18.644459 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.54

Product Information

• Purity: 95%