2-Acetyldibenzothiophene
[CAS# 22439-58-3]

Identification

• Name: 2-Acetyldibenzothiophene
• Synonyms: 1-(2-Dibenzothiophenyl)Ethanone; 2-Acetyldibenzothiophene; Dibenzothien-2-Yl Methyl Ketone
• Molecular Formula: C₁₄H₁₀OS
• Molecular Weight: 226.29
• CAS Registry Number: 22439-58-3
• SMILES: C3=C2C1=C(C=CC=C1)SC2=CC=C3C(C)=O
• InChI: 1S/C14H10OS/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-8H,1H3
• InChIKey: NTHRMQKFNGUJPH-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 402.608°C at 760 mmHg (Cal.)
• Flash point: 197.291°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370