Cas no 7597-68-4 (Ethyl 2-(1-benzothiophen-3-yl)acetate)
7597-68-4 structure
Product Name:Ethyl 2-(1-benzothiophen-3-yl)acetate
CAS No:7597-68-4
MF:C12H12O2S
MW:220.287482261658
CID:47585
PubChem ID:238125
Update Time:2025-04-18
Ethyl 2-(1-benzothiophen-3-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2-(1-benzothiophen-3-yl)acetate
- BENZO[B]THIOPHENE-3-ACETIC ACID ETHYL ESTER
- benzo[b]thiophene-3-yl-acetic acid ethyl ester
- ethyl 3-benzo<b>thienylacetate
- ethyl 3-benzo<b>thiopheneacetate
- ethyl benzo[b]thien-3-acetate
- ethyl benzo[b]thiene-3-acetate
- ethyl benzo<b>thiophen-3-ylacetate
- ethyl(-1-benzothiophene-3-yl)acetate
- NSC 42320
- Ethyl (1-benzothiophen-3-yl)acetate
- QAJKYZFZTOKLRE-UHFFFAOYSA-N
- SCHEMBL8787255
- DTXSID70285569
- A838569
- Benzo[b]thiophene-3-aceticacid, ethyl ester
- 7597-68-4
- NSC42320
- NSC-42320
- ethyl 2-(benzo[b]thiophen-3-yl)acetate
- ethyl2-(benzo[b]thiophen-3-yl)acetate
- ethyl 1-benzothien-3-ylacetate
-
- Inchi： 1S/C12H12O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
- InChI Key： QAJKYZFZTOKLRE-UHFFFAOYSA-N
- SMILES： S1C=C(CC(=O)OCC)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 220.05600
- 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: 4
- Complexity: 230
- 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: 54.54000
- LogP: 3.00690
Ethyl 2-(1-benzothiophen-3-yl)acetate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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