5-Tert-Butyl-2,3-Bis(Phenylmethylsulfanyl)Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 135432-47-2]

Identification

• Name: 5-Tert-Butyl-2,3-Bis(Phenylmethylsulfanyl)Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 5-Tert-Butyl-2,3-Bis(Phenylmethylsulfanyl)-1,4-Benzoquinone; 5-Tert-Butyl-2,3-Bis(Phenylmethylthio)-1,4-Benzoquinone; 2,3-Bis(Benzylthio)-5-Tert-Butyl-P-Benzoquinone
• Molecular Formula: C₂₄H₂₄O₂S₂
• Molecular Weight: 408.57
• CAS Registry Number: 135432-47-2
• SMILES: C3=C(CSC2=C(SCC1=CC=CC=C1)C(=O)C=C(C2=O)C(C)(C)C)C=CC=C3
• InChI: 1S/C24H24O2S2/c1-24(2,3)19-14-20(25)22(27-15-17-10-6-4-7-11-17)23(21(19)26)28-16-18-12-8-5-9-13-18/h4-14H,15-16H2,1-3H3
• InChIKey: CESZLEICCACLBO-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 529.68°C at 760 mmHg (Cal.)
• Flash point: 214.732°C (Cal.)