Cas no 62308-28-5 (Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]-)
![Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/62500/62308-28-5x500.png)
62308-28-5 structure
Product Name:Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]-
CAS No:62308-28-5
MF:C14H14O2S
MW:246.324762821198
CID:449911
PubChem ID:71387698
Update Time:2025-04-19
Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]-
- 4-methyl-2-(2-thiophen-2-ylethyl)benzoic acid
- 62308-28-5
- DTXSID50809808
- 4-Methyl-2-[2-(thiophen-2-yl)ethyl]benzoic acid
-
- Inchi： 1S/C14H14O2S/c1-10-4-7-13(14(15)16)11(9-10)5-6-12-3-2-8-17-12/h2-4,7-9H,5-6H2,1H3,(H,15,16)
- InChI Key： BHJUITYRAFDJRP-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CCC1C=C(C)C=CC=1C(=O)O
Computed Properties
- Exact Mass: 246.07152
- Monoisotopic Mass: 246.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 267
- 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: 3.7
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 4-methyl-2-[2-(2-thienyl)ethyl]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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