5-ethylthiophene-2-carbohydrazide

• ChemBase ID: 27292
• Molecular Formular: C7H10N2OS
• Molecular Mass: 170.2321
• Monoisotopic Mass: 170.05138395
• SMILES: c1(sc(cc1)CC)C(=O)NN
• Canonical SMILES: CCc1ccc(s1)C(=O)NN
• InChI: InChI=1S/C7H10N2OS/c1-2-5-3-4-6(11-5)7(10)9-8/h3-4H,2,8H2,1H3,(H,9,10)
• InChIKey: VCNHIBSLOGNADX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylthiophene-2-carbohydrazide
• IUPAC Traditional name: 5-ethylthiophene-2-carbohydrazide
• Synonyms: 5-Ethylthiophene-2-carbohydrazide

Database IDs

• CAS Number: 676348-42-8
• MDL Number: MFCD01627999
• PubChem SID: 160990599
• PubChem CID: 2758912

CALCULATED PROPERTIES

• Acid pKa: 13.955557
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.530072
• LogD (pH = 7.4): 1.530713
• Log P: 1.5307213
• Molar Refractivity: 46.0907 cm^3
• Polarizability: 16.894394 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false