Cas no 680211-01-2 (Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]-)
![Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]- structure](https://ossimg.kuujia.com/scimg/680500/680211-01-2x500.png)
680211-01-2 structure
Product Name:Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]-
CAS No:680211-01-2
MF:C10H13ClOS
MW:216.727620840073
CID:501734
PubChem ID:2777677
Update Time:2025-04-19
Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]-
- 1-(5-tert-butyl-3-chlorothiophen-2-yl)ethanone
- 1-[5-(TERT-BUTYL)-3-CHLORO-2-THIENYL]ETHAN-1-ONE
- DTXSID60380613
- 680211-01-2
- AG-G-59003
-
- Inchi： 1S/C10H13ClOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,1-4H3
- InChI Key： FUDJKPCRJNFIIP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)=O)SC(=C1)C(C)(C)C
Computed Properties
- Exact Mass: 216.0375639g/mol
- Monoisotopic Mass: 216.0375639g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 210
- 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
- Topological Polar Surface Area: 45.3?2
Ethanone,1-[3-chloro-5-(1,1-dimethylethyl)-2-thienyl]- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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