Cas no 959631-71-1 (1-(6-bromo-1-benzothiophen-2-yl)ethanone)
959631-71-1 structure
Product Name:1-(6-bromo-1-benzothiophen-2-yl)ethanone
CAS No:959631-71-1
MF:C10H7BrOS
MW:255.130980730057
CID:3035489
PubChem ID:57443281
Update Time:2025-04-21
1-(6-bromo-1-benzothiophen-2-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(6-bromo-1-benzothiophen-2-yl)ethanone
- 2-acetyl-6-bromobenzothiophene
- 959631-71-1
- 1-(6-Bromobenzo[b]thiophen-2-yl)ethanone
- 1-(6-bromo-1-benzothiophen-2-yl)ethan-1-one
- SCHEMBL497750
-
- Inchi： 1S/C10H7BrOS/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-5H,1H3
- InChI Key： DMLYEOVWNNHIIX-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C=C(C(C)=O)SC=2C=1
Computed Properties
- Exact Mass: 253.94000
- Monoisotopic Mass: 253.94010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 45.3?2
Experimental Properties
- PSA: 45.31000
- LogP: 3.86640
1-(6-bromo-1-benzothiophen-2-yl)ethanone Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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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