Cas no 852318-16-2 (Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester)
![Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/852500/852318-16-2x500.png)
852318-16-2 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester
CAS No:852318-16-2
MF:C11H10S
MW:174.262101650238
CID:877897
PubChem ID:4130347
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene-2-carboxylic acid, 3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester
- 3- P -TOLYL-THIOPHENE
- 3-(4-Methylphenyl)thiophene
- Thiophen, 3-(4-methylphenyl)-
- 3-(p-Tolyl)thiophene
- 3-p-Tolyl-thiophene
- 852318-16-2
- BB 0222706
- 16939-05-2
- 3-p-Tolylthiophene
- 4-(3-thienyl)toluene
- SCHEMBL2782336
- AKOS004113755
- Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester
-
- Inchi： 1S/C11H10S/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-8H,1H3
- InChI Key： HNCPAJPMBWXHEH-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 174.05032149g/mol
- Monoisotopic Mass: 174.05032149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 136
- 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: 3.6
- Topological Polar Surface Area: 28.2?2
Benzo[b]thiophene-2-carboxylic acid,3-[2-(4-methylphenyl)-2-oxoethoxy]-, ethyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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