2-(thiophen-2-yl)acetamide

• ChemBase ID: 302567
• Molecular Formular: C6H7NOS
• Molecular Mass: 141.19088
• Monoisotopic Mass: 141.02483485
• SMILES: c1cc(sc1)CC(=O)N
• Canonical SMILES: NC(=O)Cc1cccs1
• InChI: InChI=1S/C6H7NOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,7,8)
• InChIKey: UUPZTFTUZUQRQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: thiophen-2-yl-acetamide
• Synonyms: 2-Thienylacetamide; 2-Thiopheneacetamide; 噻酚-2-乙酰胺

Database IDs

• CAS Number: 4461-29-4
• EC Number: 224-714-9
• MDL Number: MFCD00017556
• Beilstein Number: 114558

CALCULATED PROPERTIES

• Acid pKa: 15.952702
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7169329
• LogD (pH = 7.4): 0.7169329
• Log P: 0.7169329
• Molar Refractivity: 36.0777 cm^3
• Polarizability: 13.898252 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145-148°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 98%