Thiophene,ethyl-

• CAS: 52006-63-0
• Catalog Number: ACM52006630
• Category: Other Products
• Molecular Weight: 112.19g/mol
• Molecular Formula: C6H8S
• 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
• Density: 1.01
• 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