Cas no 97511-16-5 (1-(2-Thienyl)-ethanone)
1-(2-Thienyl)-ethanone structure
Product Name:1-(2-Thienyl)-ethanone
CAS No:97511-16-5
MF:C6H6OS
MW:126.176240444183
CID:61901
Update Time:2026-05-14
1-(2-Thienyl)-ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-Thienyl)-ethanone
- FLUORONE BLACK
-
- Inchi： 1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
- InChI Key： WYJOVVXUZNRJQY-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(=O)C
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 101
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- PSA: 45.31000
- LogP: 1.95070
1-(2-Thienyl)-ethanone Related Literature
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Tuong A. To,Chau B. Tran,Ngoc T. H. Nguyen,Hai H. T. Nguyen,Anh T. Nguyen,Anh N. Q. Phan,Nam T. S. Phan RSC Adv. 2018 8 17477
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Tanvi Jandial,Anish Gupta,Gowsia Jan,Muthu Karuppasamy,Subbiah Nagarajan,C. Uma Maheswari,Vellaisamy Sridharan Org. Biomol. Chem. 2023 21 3121
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Amrendra Kumar,Ramanand,Narender Tadigoppula Green Chem. 2017 19 5385
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Muthu Karuppasamy,Perumal Vinoth,N. Pradeep,Subbiah Nagarajan,C. Uma Maheswari,Vellaisamy Sridharan Org. Biomol. Chem. 2020 18 8474
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Yuan Liu,Peizhi Bai,Yue Hu,Yinjun Xie New J. Chem. 2023 47 11765
97511-16-5 (1-(2-Thienyl)-ethanone) Related Products
- 704-38-1(Bis(2-thienyl) ketone)
- 4565-29-1(5-Acetylthiophene-2-carbaldehyde)
- 88-15-3(2-Acetylthiophene)
- 13679-74-8(2-Acetyl-5-methylthiophene)
- 5916-12-1(2-Acetylthiophene ethylene acetal)
- 51445-63-7(2-oxo-2-(thiophen-2-yl)acetaldehyde)
- 4927-10-0(1,1'-(thiophene-2,5-diyl)bisethan-1-one)
- 13679-75-9(1-(2-Thienyl)-1-propanone)
- 36880-33-8(5-Ethylthiophene-2-carbaldehyde)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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