2-Pentylthiophene

• CAS: 4861-58-9
• Catalog Number: ACM4861589
• Category: Other Products
• Molecular Weight: 154.27g/mol
• Molecular Formula: C9H14S
• Description: Clear colourless liquid; Fruity, fatty aroma with a cranberry note
• IUPAC Name: 2-pentylthiophene
• Canonical SMILES: CCCCCC1=CC=CS1
• InChI: InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
• InChI Key: NOYVOSGVFSEKPR-UHFFFAOYSA-N
• Density: d204 0.94;0.942-0.949
• Solubility: Practically insoluble to insoluble in water; Soluble in hexane and pentane;Soluble (in ethanol)
• Complexity: 80.8
• Covalently-Bonded Unit Count: 1
• EC Number: 225-465-9
• Exact Mass: 154.081622g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 154.081622g/mol
• Refractive Index: 1.493-1.501
• Rotatable Bond Count: 4
• UNII: L79LOS1ZKM
• XLogP3: 4.3