Cas no 344272-45-3 (3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole)
![3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole structure](https://ossimg.kuujia.com/scimg/344500/344272-45-3x500.png)
344272-45-3 structure
Product Name:3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole
CAS No:344272-45-3
MF:C19H17Cl3FN3OS2
MW:492.845182180405
CID:5013425
Update Time:2023-08-25
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
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- 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
- 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-{[(2,4-dichlorophenyl)methanesulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
- 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole
- 3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole
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- Inchi： 1S/C19H17Cl3FN3OS2/c1-2-26-18(11-29(27)10-12-6-7-13(20)8-16(12)22)24-25-19(26)28-9-14-15(21)4-3-5-17(14)23/h3-8H,2,9-11H2,1H3
- InChI Key： IKLFAOXLTNSFAJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CS(CC1=NN=C(N1CC)SCC1C(=CC=CC=1Cl)F)=O)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 553
- XLogP3: 4.7
- Topological Polar Surface Area: 92.3
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-1,2,4-triazole Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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