Cas no 943756-20-5 (ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE)
943756-20-5 structure
Product Name:ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE
CAS No:943756-20-5
MF:C12H18O2S
MW:226.335122585297
CID:1987179
PubChem ID:90478094
Update Time:2025-04-21
ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE Chemical and Physical Properties
Names and Identifiers
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- ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE
- 943756-20-5
-
- Inchi： 1S/C12H18O2S/c1-5-14-11(13)8-9-6-7-10(15-9)12(2,3)4/h6-7H,5,8H2,1-4H3
- InChI Key： DFWACDPQWYEFPR-UHFFFAOYSA-N
- SMILES： S1C(CC(=O)OCC)=CC=C1C(C)(C)C
Computed Properties
- Exact Mass: 226.10275099Da
- Monoisotopic Mass: 226.10275099Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 220
- 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: 3.5
- Topological Polar Surface Area: 54.5?2
ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
943756-20-5 (ETHYL 2-(5-TERT-BUTYLTHIOPHEN-2-YL)ACETATE) Related Products
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