5-methylthiophene-3-carbohydrazide

• ChemBase ID: 27280
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(cc(sc1)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1csc(c1)C
• InChI: InChI=1S/C6H8N2OS/c1-4-2-5(3-10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: VBUMZBJLAKKVRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylthiophene-3-carbohydrazide
• IUPAC Traditional name: 5-methylthiophene-3-carbohydrazide
• Synonyms: 5-Methylthiophene-3-carbohydrazide

Database IDs

• CAS Number: 524731-02-0
• MDL Number: MFCD01627991
• PubChem SID: 160990587
• PubChem CID: 4582401

CALCULATED PROPERTIES

• Acid pKa: 14.560152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9529431
• LogD (pH = 7.4): 0.95370346
• Log P: 0.9537132
• Molar Refractivity: 41.7826 cm^3
• Polarizability: 15.062039 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false