Cas no 5337-07-5 (1-dibenzothiophen-3-ylethanone)
5337-07-5 structure
Product Name:1-dibenzothiophen-3-ylethanone
CAS No:5337-07-5
MF:C14H10OS
MW:226.293602466583
CID:1585729
PubChem ID:31178
Update Time:2025-04-21
1-dibenzothiophen-3-ylethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-dibenzothiophen-3-ylethanone
- 3-Acetyl-dibenzothiophen
- Dibenzothien-2-yl methyl ketone
- AC1L1L2S
- KETONE, 2-DIBENZOTHIENYL METHYL
- NSC407
- 1-dibenzothiophen-3-yl-ethanone
- 3-Acetyldibenzothiophen
- SureCN7111037
- 2-Acetyldibenzothiophene
- BRN 0150949
- 3-Acetyl-dibenzothiophen; Dibenzothien-2-yl methyl ketone; AC1L1L2S; KETONE, 2-DIBENZOTHIENYL METHYL; NSC407; 1-dibenzothiophen-3-yl-ethanone; 3-Acetyldibenzothiophen; SureCN7111037; 2-Acetyldibenzothiophene; BRN 0150949;
- NSC 220077
- 89RZ08G6FG
- 3-Acetyldibenzothiophene
- UNII-89RZ08G6FG
- 3-DIBENZOTHIENYL METHYL KETONE
- UNII-79R107Z34L
- Ethanone, 1-(3-dibenzothienyl)-
- DTXSID90968004
- 5-17-10-00470 (Beilstein Handbook Reference)
- SCHEMBL7111037
- NSC-407
- 1-(3-Dibenzothienyl)ethanone
- 5337-07-5
- Ketone, 3-dibenzothienyl methyl
- 1-(Dibenzo[b,d]thiophen-3-yl)ethan-1-one
-
- Inchi： 1S/C14H10OS/c1-9(15)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-8H,1H3
- InChI Key： OYNXXWUYUGWMGP-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=CC(C(C)=O)=CC1=2
Computed Properties
- Exact Mass: 226.0453
- Monoisotopic Mass: 226.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 289
- 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: 4.1
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
- LogP: 4.25710
1-dibenzothiophen-3-ylethanone Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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