Cas no 50314-39-1 (Ethanone, 1,1'-(2,7-thianthrenediyl)bis-)
50314-39-1 structure
Product Name:Ethanone, 1,1'-(2,7-thianthrenediyl)bis-
CAS No:50314-39-1
MF:C16H12O2S2
MW:300.395281791687
CID:365266
PubChem ID:15829249
Update Time:2025-04-19
Ethanone, 1,1'-(2,7-thianthrenediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1,1'-(2,7-thianthrenediyl)bis-
- 1-(7-acetylthianthren-2-yl)ethanone
- SCHEMBL1003629
- 50314-39-1
- 2,7-diacetylthianthrene
- 1,1'-(Thianthrene-2,7-diyl)di(ethan-1-one)
- DTXSID50578683
-
- Inchi： 1S/C16H12O2S2/c1-9(17)11-3-5-13-15(7-11)19-14-6-4-12(10(2)18)8-16(14)20-13/h3-8H,1-2H3
- InChI Key： GATVHFQKUCJQGI-UHFFFAOYSA-N
- SMILES： S1C2C=CC(C(C)=O)=CC=2SC2C=CC(C(C)=O)=CC1=2
Computed Properties
- Exact Mass: 300.02796
- Monoisotopic Mass: 300.02787197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 371
- 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: 3.5
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 34.14
Ethanone, 1,1'-(2,7-thianthrenediyl)bis- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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