Cas no 5337-08-6 (1-(7-acetyldibenzothiophen-3-yl)ethanone)
5337-08-6 structure
Product Name:1-(7-acetyldibenzothiophen-3-yl)ethanone
CAS No:5337-08-6
MF:C16H12O2S
MW:268.330283164978
CID:1582271
PubChem ID:219304
Update Time:2025-04-21
1-(7-acetyldibenzothiophen-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(7-acetyldibenzothiophen-3-yl)ethanone
- 1,1'-dibenzo[b,d]thiene-3,7-diyldiethanone
- NSC408
- AC1L56HI
- AC1Q5GK8
- NSC-408
- KST-1A9508
- 3,7-DIACETYLDIBENZOTHIOPHENE
- AR-1B4504
- 1,1'-dibenzo[b,d]thiene-3,7-diyldiethanone; NSC408; AC1L56HI; AC1Q5GK8; NSC-408; KST-1A9508; 3,7-DIACETYLDIBENZOTHIOPHENE; AR-1B4504;
- SCHEMBL15041007
- 5337-08-6
- DTXSID50277023
-
- Inchi： 1S/C16H12O2S/c1-9(17)11-3-5-13-14-6-4-12(10(2)18)8-16(14)19-15(13)7-11/h3-8H,1-2H3
- InChI Key： CVBFFCRNCOKYEF-UHFFFAOYSA-N
- SMILES： S1C2C=C(C(C)=O)C=CC=2C2C=CC(C(C)=O)=CC1=2
Computed Properties
- Exact Mass: 268.05586
- Monoisotopic Mass: 268.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 356
- 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: 3.6
- Topological Polar Surface Area: 62.4?2
Experimental Properties
- Density: 1.276
- Boiling Point: 465.2°C at 760 mmHg
- Flash Point: 235.2°C
- Refractive Index: 1.69
- PSA: 34.14
- LogP: 4.45970
1-(7-acetyldibenzothiophen-3-yl)ethanone Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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