4-ethyl-5-methylthiophene-3-carbohydrazide

• ChemBase ID: 27282
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c1(c(c(sc1)C)CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1csc(c1CC)C
• InChI: InChI=1S/C8H12N2OS/c1-3-6-5(2)12-4-7(6)8(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
• InChIKey: HVRJAJATAXTZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methylthiophene-3-carbohydrazide
• IUPAC Traditional name: 4-ethyl-5-methylthiophene-3-carbohydrazide
• Synonyms: 4-Ethyl-5-methylthiophene-3-carbohydrazide

Database IDs

• CAS Number: 438225-41-3
• MDL Number: MFCD03419844
• PubChem SID: 160990589
• PubChem CID: 3382598

CALCULATED PROPERTIES

• Acid pKa: 14.749288
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9109507
• LogD (pH = 7.4): 1.9116937
• Log P: 1.9117032
• Molar Refractivity: 51.4248 cm^3
• Polarizability: 18.638979 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