Cas no 118743-12-7 (Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester)
![Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester structure](https://ossimg.kuujia.com/scimg/119000/118743-12-7x500.png)
118743-12-7 structure
Product Name:Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
CAS No:118743-12-7
MF:C12H12O2S
MW:220.287482261658
CID:1211071
PubChem ID:2824092
Update Time:2025-04-20
Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
- methyl 2-(5-methyl-1-benzothiophen-3-yl)acetate
- Maybridge3_004329
- ZXKVFSLMPZWEKJ-UHFFFAOYSA-N
- CCG-251691
- HMS1443E17
- DTXSID20384975
- methyl 5-methyl-3-benzo[b]thienylacetate
- SCHEMBL9314600
- IDI1_015716
- 118743-12-7
-
- Inchi： 1S/C12H12O2S/c1-8-3-4-11-10(5-8)9(7-15-11)6-12(13)14-2/h3-5,7H,6H2,1-2H3
- InChI Key： ZXKVFSLMPZWEKJ-UHFFFAOYSA-N
- SMILES： S1C=C(CC(=O)OC)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 220.05586
- Monoisotopic Mass: 220.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 3.1
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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