2-Methylthiophene

• CAS: 554-14-3
• Catalog Number: ACM554143
• Category: Thiophenes
• Molecular Weight: 98.17g/mol
• Molecular Formula: C5H6S
• Description: Liquid;Liquid
• Synonyms: Thiophene, 2-methyl-; alpha-Methylthiophene
• IUPAC Name: 2-methylthiophene
• SMILES: CC1=CC=CS1
• InChI: InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
• InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N
• Boiling Point: 112.6 °C
• Melting Point: -63.4 °C;-63.4 °C;-63.4°C
• Flash Point: 7.2°C
• Density: d20 1.02
• Application: 2-Methylthiophene is a clear, colorless to slightly yellow liquid that serves as a versatile flavoring agent found in a variety of foods such as grilled and roasted beef, papaya, cooked shrimp, whiskey, and traces in roasted chicken. As a member of the thiophenes, this compound plays an essential role in flavor development through the Maillard reaction. Additionally, 2-Methylthiophene is a valuable raw material for producing various 2-substituted thiophenes, including 2-chloromethylthiophene. However, due to its instability, these syntheses are typically conducted in situ for optimal results.
• Complexity: 43.2
• Covalently-Bonded Unit Count: 1
• EC Number: 209-063-0
• Exact Mass: 98.019021g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 6
• LogP: 2.33 (LogP);2.33;2.33
• Monoisotopic Mass: 98.019021g/mol
• Refractive Index: n20D 1.5203
• Rotatable Bond Count: 0
• UNII: 7115JAP77A
• Vapor Pressure: 24.89 mmHg
• XLogP3: 2.3