2-[4,5-Bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(octadecylsulfanyl)-1,3-dithiole
[CAS# 105782-53-4]

Identification

• Name: 2-[4,5-Bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(octadecylsulfanyl)-1,3-dithiole
• Synonyms: tetrakis(octadecylthio)tetrathiafulvalene
• Molecular Formula: C₇₈H₁₄₈S₈
• Molecular Weight: 1342.53
• CAS Registry Number: 105782-53-4
• SMILES: CCCCCCCCCCCCCCCCCCSC=1SC(\SC=1SCCCCCCCCCCCCCCCCCC)=C2/S/C(SCCCCCCCCCCCCCCCCCC)=C(/SCCCCCCCCCCCCCCCCCC)S2
• InChI: 1S/C78H148S8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-79-73-74(80-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)84-77(83-73)78-85-75(81-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76(86-78)82-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
• InChIKey: ALECFXZYMRVNSX-UHFFFAOYSA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Melting point: 88°C (Expl.)
• Boiling point: 1040.012°C at 760 mmHg (Cal.)
• Flash point: 538.542°C (Cal.)
• Refractive index: 1.543 (Cal.)