2-Hexylthiophene

• CAS: 18794-77-9
• Catalog Number: ACM18794779
• Category: Thiophenes
• Molecular Weight: 168.3g/mol
• Molecular Formula: C10H16S
• Description: Colourless to pale yellow liquid; Meat-like aroma
• Synonyms: Thiophene, 2-hexyl-;2-n-Hexylthiophene
• IUPAC Name: 2-hexylthiophene
• Canonical SMILES: CCCCCCC1=CC=CS1
• InChI: InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
• InChI Key: QZVHYFUVMQIGGM-UHFFFAOYSA-N
• Boiling Point: 92 °C/10mmHg(lit.)
• Flash Point: 100°C(lit.)
• Density: 0.930-0.938 (20?°)
• Solubility: Soluble in most organic solvents; Insoluble in water;Soluble (in ethanol)
• Appearance: Colourless Liquid
• Complexity: 90.9
• Covalently-Bonded Unit Count: 1
• EC Number: 242-579-4
• Exact Mass: 168.097272g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 168.097272g/mol
• Refractive Index: 1.492-1.498
• Rotatable Bond Count: 5
• UNII: 82479467Q1
• XLogP3: 4.4