Cas no 383146-70-1 ({5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether)
![{5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether structure](https://ossimg.kuujia.com/scimg/383500/383146-70-1x500.png)
383146-70-1 structure
Product Name:{5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether
CAS No:383146-70-1
MF:C19H17ClF3N3OS
MW:427.870992422104
CID:5026294
Update Time:2023-08-25
{5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether Chemical and Physical Properties
Names and Identifiers
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- 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
- {5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether
- {5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether
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- Inchi： 1S/C19H17ClF3N3OS/c1-2-26-17(11-27-16-5-3-4-14(10-16)19(21,22)23)24-25-18(26)28-12-13-6-8-15(20)9-7-13/h3-10H,2,11-12H2,1H3
- InChI Key： AMTGXEARANHBCD-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CSC1=NN=C(COC2C=CC=C(C(F)(F)F)C=2)N1CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 480
- XLogP3: 5.1
- Topological Polar Surface Area: 65.2
{5-[(4-Chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl 3-(trifluoromethyl)phenyl ether Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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