2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-Octithiophene
[CAS# 113728-71-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Thiophene compound
• Name: 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-Octithiophene
• Synonyms: α-Octithiophene
• Molecular Formula: C₃₂H₁₈S₈
• Molecular Weight: 659.01
• CAS Registry Number: 113728-71-5
• SMILES: s1c(ccc1c2sc(cc2)c5sc(c4sc(c3sccc3)cc4)cc5)c8sc(c7sc(c6sccc6)cc7)cc8
• InChI: 1S/C32H18S8/c1-3-19(33-17-1)21-5-7-23(35-21)25-9-11-27(37-25)29-13-15-31(39-29)32-16-14-30(40-32)28-12-10-26(38-28)24-8-6-22(36-24)20-4-2-18-34-20/h1-18H
• InChIKey: GCMCTPRNKVKGCY-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Melting point: 364°C (Expl.)
• Boiling point: 738.127°C at 760 mmHg (Cal.)
• Flash point: 306.913°C (Cal.)
• Refractive index: 1.735 (Cal.)