Cas no 65972-18-1 (Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]-)
![Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/66000/65972-18-1x500.png)
65972-18-1 structure
Product Name:Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]-
CAS No:65972-18-1
MF:C16H18O2S2
MW:306.442922115326
CID:397047
PubChem ID:71375293
Update Time:2025-04-19
Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]-
- 1-(2-benzylsulfanylethylsulfonyl)-4-methylbenzene
- 1-[2-(Benzylsulfanyl)ethanesulfonyl]-4-methylbenzene
- 65972-18-1
- DTXSID80798039
-
- Inchi： 1S/C16H18O2S2/c1-14-7-9-16(10-8-14)20(17,18)12-11-19-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
- InChI Key： RLFQOFZGVPBXNM-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(CCSCC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 306.07494
- Monoisotopic Mass: 306.07482216g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 358
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Benzene, 1-methyl-4-[[2-[(phenylmethyl)thio]ethyl]sulfonyl]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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