2-Ethylthiophene

• CAS: 872-55-9
• Catalog Number: ACM872559
• Category: Thiophenes
• Molecular Weight: 112.19g/mol
• Molecular Formula: C6H8S
• Synonyms: Thiophene, 2-ethyl-; 2-Ethylthiophene
• IUPAC Name: 2-ethylthiophene
• Canonical SMILES: CCC1=CC=CS1
• InChI: InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
• InChI Key: JCCCMAAJYSNBPR-UHFFFAOYSA-N
• Boiling Point: 132-134 °C
• Melting Point: 27 °C(lit.)
• Density: 0.99 g/cm³ at 25 °C(lit.)
• Solubility: 0.292 mg/mL at 25 °C
• Complexity: 52.1
• Covalently-Bonded Unit Count: 1
• EC Number: 212-830-2
• Exact Mass: 112.034671g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 7
• LogP: 2.87
• Monoisotopic Mass: 112.034671g/mol
• Rotatable Bond Count: 1
• UNII: E5616Q8745
• XLogP3: 2.9