5-methyl-4-propylthiophene-2-carbohydrazide

• ChemBase ID: 235119
• Molecular Formular: C9H14N2OS
• Molecular Mass: 198.28526
• Monoisotopic Mass: 198.08268408
• SMILES: c1(sc(c(c1)CCC)C)C(=O)NN
• Canonical SMILES: CCCc1cc(sc1C)C(=O)NN
• InChI: InChI=1S/C9H14N2OS/c1-3-4-7-5-8(9(12)11-10)13-6(7)2/h5H,3-4,10H2,1-2H3,(H,11,12)
• InChIKey: LVDUQALUUPLQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-propylthiophene-2-carbohydrazide
• IUPAC Traditional name: 5-methyl-4-propylthiophene-2-carbohydrazide
• Synonyms: 5-methyl-4-propylthiophene-2-carbohydrazide

Database IDs

• MDL Number: MFCD06357814
• PubChem SID: 164291029
• PubChem CID: 2512362

CALCULATED PROPERTIES

• Acid pKa: 14.141942
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4880574
• LogD (pH = 7.4): 2.488703
• Log P: 2.4887114
• Molar Refractivity: 55.8099 cm^3
• Polarizability: 20.476938 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.069

Product Information

• Purity: 95%