2-(thiophen-2-yl)acetohydrazide

• ChemBase ID: 27136
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: C(c1sccc1)C(=O)NN
• Canonical SMILES: NNC(=O)Cc1cccs1
• InChI: InChI=1S/C6H8N2OS/c7-8-6(9)4-5-2-1-3-10-5/h1-3H,4,7H2,(H,8,9)
• InChIKey: LELQUIOICURSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)acetohydrazide
• IUPAC Traditional name: 2-(thiophen-2-yl)acetohydrazide
• Synonyms: 2-Thien-2-ylacetohydrazide; 2-(2-thienyl)acetohydrazide; 2-(thiophen-2-yl)acetohydrazide

Database IDs

• CAS Number: 39978-18-2
• MDL Number: MFCD00985059
• PubChem SID: 160990443
• PubChem CID: 254650

CALCULATED PROPERTIES

• Acid pKa: 12.523552
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.41868955
• LogD (pH = 7.4): 0.42043182
• Log P: 0.42045718
• Molar Refractivity: 40.5618 cm^3
• Polarizability: 15.332364 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.21

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%