2-[4,5-Bis(Pentylsulfanyl)-1,3-Dithiol-2-Ylidene]-4,5-Bis(Pentylsulfanyl)-1,3-Dithiole
[CAS# 106920-29-0]

Identification

• Name: 2-[4,5-Bis(Pentylsulfanyl)-1,3-Dithiol-2-Ylidene]-4,5-Bis(Pentylsulfanyl)-1,3-Dithiole
• Synonyms: tetrakis(pentylthio)tetrathiafulvalene
• Molecular Formula: C₂₆H₄₄S₈
• Molecular Weight: 613.15
• CAS Registry Number: 106920-29-0
• SMILES: CCCCCSC=1SC(\SC=1SCCCCC)=C2/S/C(SCCCCC)=C(/SCCCCC)S2
• InChI: 1S/C26H44S8/c1-5-9-13-17-27-21-22(28-18-14-10-6-2)32-25(31-21)26-33-23(29-19-15-11-7-3)24(34-26)30-20-16-12-8-4/h5-20H2,1-4H3
• InChIKey: LFXNQRWLTHGAND-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Melting point: 32°C (Expl.)
• Boiling point: 594.551°C at 760 mmHg (Cal.)
• Flash point: 292.989°C (Cal.)
• Refractive index: 1.633 (Cal.)