1-[23-Oxido-23-Thia-24-Azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]Tetracosa-2(11),3,5,7,9,13,15,17,19,21-Decaen-24-Yl]Ethanone
[CAS# 454675-76-4]

Identification

• Name: 1-[23-Oxido-23-Thia-24-Azahexacyclo[10.10.2.0^2,11.0^4,9.0^13,22.0^15,20]Tetracosa-2(11),3,5,7,9,13,15,17,19,21-Decaen-24-Yl]Ethanone
• Synonyms: 13,6-N-Sulfinylacetamidopentacene; 16-Acetyl-6,13-dihydro-15-oxide -13,6-(epithioimino)pentacene; 24-acetyl-23λ4-thia-24-azahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4(9),5,7,10,13(22),14,16,18,20-decaen-23-one
• Molecular Formula: C₂₄H₁₇NO₂S
• Molecular Weight: 383.46
• CAS Registry Number: 454675-76-4
• SMILES: CC(=O)N1C2C3=CC4=CC=CC=C4C=C3C(S1=O)C5=CC6=CC=CC=C6C=C25
• InChI: 1S/C24H17NO2S/c1-14(26)25-23-19-10-15-6-2-4-8-17(15)12-21(19)24(28(25)27)22-13-18-9-5-3-7-16(18)11-20(22)23/h2-13,23-24H,1H3
• InChIKey: HIABOOSIYBUBKB-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 642.6±65.0°C at 760 mmHg (Cal.)
• Flash point: 342.4±34.3°C (Cal.)
• Refractive index: 1.832 (Cal.)