Cas no 383146-78-9 ([4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether)
![[4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether structure](https://ossimg.kuujia.com/scimg/383500/383146-78-9x500.png)
383146-78-9 structure
Product Name:[4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether
CAS No:383146-78-9
MF:C13H14F3N3OS
MW:317.329971790314
CID:5013169
Update Time:2023-08-25
[4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether Chemical and Physical Properties
Names and Identifiers
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- 4-ethyl-3-(methylsulfanyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- [4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether
- [4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether
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- Inchi： 1S/C13H14F3N3OS/c1-3-19-11(17-18-12(19)21-2)8-20-10-6-4-5-9(7-10)13(14,15)16/h4-7H,3,8H2,1-2H3
- InChI Key： DUXYCBNERQJMHX-UHFFFAOYSA-N
- SMILES： S(C)C1=NN=C(COC2=CC=CC(C(F)(F)F)=C2)N1CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 332
- XLogP3: 3
- Topological Polar Surface Area: 65.2
[4-Ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl 3-(trifluoromethyl)phenyl ether Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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