Cas no 344272-52-2 (3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole)
![3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole structure](https://ossimg.kuujia.com/scimg/344500/344272-52-2x500.png)
344272-52-2 structure
Product Name:3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
CAS No:344272-52-2
MF:C19H18BrCl2N3OS2
MW:519.305718898773
CID:5014031
Update Time:2023-08-25
3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
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- 3-{[(4-bromophenyl)methyl]sulfanyl}-5-{[(2,4-dichlorophenyl)methanesulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
- 3-[(4-bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
- 3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole
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- Inchi： 1S/C19H18BrCl2N3OS2/c1-2-25-18(12-28(26)11-14-5-8-16(21)9-17(14)22)23-24-19(25)27-10-13-3-6-15(20)7-4-13/h3-9H,2,10-12H2,1H3
- InChI Key： IYZVCICKSYQZFO-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CSC1=NN=C(CS(CC2C=CC(=CC=2Cl)Cl)=O)N1CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 514
- XLogP3: 4.7
- Topological Polar Surface Area: 92.3
3-[(4-Bromobenzyl)sulfanyl]-5-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-4H-1,2,4-triazole Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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