4,5-dimethylthiophene-3-carbohydrazide

• ChemBase ID: 27281
• Molecular Formular: C7H10N2OS
• Molecular Mass: 170.2321
• Monoisotopic Mass: 170.05138395
• SMILES: c1(c(c(sc1)C)C)C(=O)NN
• Canonical SMILES: Cc1c(csc1C)C(=O)NN
• InChI: InChI=1S/C7H10N2OS/c1-4-5(2)11-3-6(4)7(10)9-8/h3H,8H2,1-2H3,(H,9,10)
• InChIKey: GXSYIAJXBNLPHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethylthiophene-3-carbohydrazide
• IUPAC Traditional name: 4,5-dimethylthiophene-3-carbohydrazide
• Synonyms: 4,5-Dimethylthiophene-3-carbohydrazide

Database IDs

• CAS Number: 524934-36-9
• MDL Number: MFCD02245153
• PubChem SID: 160990588
• PubChem CID: 4597589

CALCULATED PROPERTIES

• Acid pKa: 14.784083
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4663789
• LogD (pH = 7.4): 1.467125
• Log P: 1.4671346
• Molar Refractivity: 46.8238 cm^3
• Polarizability: 16.809258 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