Cas no 344275-16-7 (3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole)
![3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole structure](https://ossimg.kuujia.com/scimg/344500/344275-16-7x500.png)
344275-16-7 structure
Product Name:3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
CAS No:344275-16-7
MF:C19H19BrClN3OS2
MW:484.860659837723
CID:5017328
Update Time:2023-08-25
3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
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- 3-{[(4-bromophenyl)methanesulfinyl]methyl}-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
- 3-{[(4-bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
- 3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
-
- Inchi： 1S/C19H19BrClN3OS2/c1-2-24-18(13-27(25)12-15-3-7-16(20)8-4-15)22-23-19(24)26-11-14-5-9-17(21)10-6-14/h3-10H,2,11-13H2,1H3
- InChI Key： OFPUTWKLIWLPCW-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CS(CC1=NN=C(N1CC)SCC1C=CC(=CC=1)Cl)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 474
- XLogP3: 4.1
- Topological Polar Surface Area: 92.3
3-{[(4-Bromobenzyl)sulfinyl]methyl}-5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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