Cas no 78196-98-2 (Ethanedione, benzo[b]thien-2-ylphenyl-)
![Ethanedione, benzo[b]thien-2-ylphenyl- structure](https://ossimg.kuujia.com/scimg/78500/78196-98-2x500.png)
78196-98-2 structure
Product Name:Ethanedione, benzo[b]thien-2-ylphenyl-
CAS No:78196-98-2
MF:C16H10O2S
MW:266.314403057098
CID:534876
PubChem ID:12723749
Update Time:2025-04-19
Ethanedione, benzo[b]thien-2-ylphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, benzo[b]thien-2-ylphenyl-
- 1-(1-benzothiophen-2-yl)-2-phenylethane-1,2-dione
- DTXSID70508124
- 78196-98-2
-
- Inchi： 1S/C16H10O2S/c17-15(11-6-2-1-3-7-11)16(18)14-10-12-8-4-5-9-13(12)19-14/h1-10H
- InChI Key： VIPLZAVMPPKPJV-UHFFFAOYSA-N
- SMILES： S1C(C(C(C2C=CC=CC=2)=O)=O)=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 266.04015073g/mol
- Monoisotopic Mass: 266.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 360
- 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: 4.3
- Topological Polar Surface Area: 62.4?2
Ethanedione, benzo[b]thien-2-ylphenyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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