Cas no 2046-77-7 (Ethanone, 1-(5-methylbenzo[b]thien-2-yl)-)
![Ethanone, 1-(5-methylbenzo[b]thien-2-yl)- structure](https://ossimg.kuujia.com/scimg/2500/2046-77-7x500.png)
2046-77-7 structure
Product Name:Ethanone, 1-(5-methylbenzo[b]thien-2-yl)-
CAS No:2046-77-7
MF:C11H10OS
MW:190.261501789093
CID:1393997
PubChem ID:13527239
Update Time:2025-04-20
Ethanone, 1-(5-methylbenzo[b]thien-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-methylbenzo[b]thien-2-yl)-
- 2-acetyl-5-methylbenzo[b]thiophene
- DB-373027
- 1-(5-Methylbenzo[b]thien-2-yl)ethanone
- 2046-77-7
- 1-(5-methylbenzo[b]thiophen-2-yl)ethanone
- SCHEMBL6840172
-
- Inchi： 1S/C11H10OS/c1-7-3-4-10-9(5-7)6-11(13-10)8(2)12/h3-6H,1-2H3
- InChI Key： CMADALZRTDCKCP-UHFFFAOYSA-N
- SMILES： S1C(C(C)=O)=CC2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 190.0453
- Monoisotopic Mass: 190.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 3.3
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(5-methylbenzo[b]thien-2-yl)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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