Cas no 6407-30-3 (Methanone, 2-dibenzothienylphenyl-)
6407-30-3 structure
Product Name:Methanone, 2-dibenzothienylphenyl-
CAS No:6407-30-3
MF:C19H12OS
MW:288.362983703613
CID:1665951
PubChem ID:12409692
Update Time:2025-04-21
Methanone, 2-dibenzothienylphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, 2-dibenzothienylphenyl-
- dibenzothiophen-2-yl(phenyl)methanone
- Dibenzo[b,d]thiophen-2-yl(phenyl)methanone
- 6407-30-3
- DTXSID30496937
- WAOFLIDKSDENPS-UHFFFAOYSA-N
- (Dibenzo[b,d]thiophen-2-yl)(phenyl)methanone
- SCHEMBL1576859
-
- Inchi： 1S/C19H12OS/c20-19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)21-18/h1-12H
- InChI Key： WAOFLIDKSDENPS-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=C(C(C3C=CC=CC=3)=O)C=CC1=2
Computed Properties
- Exact Mass: 288.06096
- Monoisotopic Mass: 288.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
Methanone, 2-dibenzothienylphenyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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