3-methylthiophene-2-carbohydrazide

• ChemBase ID: 27153
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: c1(C(=O)NN)c(ccs1)C
• Canonical SMILES: NNC(=O)c1sccc1C
• InChI: InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: MVROGAXPQMISQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylthiophene-2-carbohydrazide
• IUPAC Traditional name: 3-methylthiophene-2-carbohydrazide
• Synonyms: 3-Methylthiophene-2-carbohydrazide; 3-methyl-2-thiophenecarbohydrazide

Database IDs

• CAS Number: 350997-56-7
• MDL Number: MFCD01993658
• PubChem SID: 160990460
• PubChem CID: 2760084

CALCULATED PROPERTIES

• Acid pKa: 14.225433
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.953053
• LogD (pH = 7.4): 0.9537048
• Log P: 0.9537132
• Molar Refractivity: 41.5516 cm^3
• Polarizability: 15.063472 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.222

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%