5-methylthiophene-2-carbohydrazide

• ChemBase ID: 7249
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(sc(cc1)C)C(=O)NN
• Canonical SMILES: Cc1ccc(s1)C(=O)NN
• InChI: InChI=1S/C6H8N2OS/c1-4-2-3-5(10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: HMBLMUIDVHBCOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylthiophene-2-carbohydrazide
• IUPAC Traditional name: 5-methylthiophene-2-carbohydrazide
• Synonyms: 5-methylthiophene-2-carbohydrazide; 5-Methyl-2-thiophenecarboxylic acid hydrazide

Database IDs

• CAS Number: 126768-40-9
• MDL Number: MFCD01310833
• PubChem SID: 160970556
• PubChem CID: 2760085

CALCULATED PROPERTIES

• Acid pKa: 14.000598
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0854998
• LogD (pH = 7.4): 1.0861443
• Log P: 1.0861526
• Molar Refractivity: 41.5667 cm^3
• Polarizability: 15.0670185 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-102°C
• Hydrophobicity(logP): 0.562

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%