Cas no 65972-19-2 (Benzene, 1-methyl-4-[[2-(phenylthio)ethyl]sulfonyl]-)
![Benzene, 1-methyl-4-[[2-(phenylthio)ethyl]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/66000/65972-19-2x500.png)
65972-19-2 structure
Product Name:Benzene, 1-methyl-4-[[2-(phenylthio)ethyl]sulfonyl]-
CAS No:65972-19-2
MF:C15H16O2S2
MW:292.416341781616
CID:397046
PubChem ID:2818836
Update Time:2025-04-19
Benzene, 1-methyl-4-[[2-(phenylthio)ethyl]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-4-[[2-(phenylthio)ethyl]sulfonyl]-
- 1-methyl-4-(2-phenylsulfanylethylsulfonyl)benzene
- HMS553C05
- Maybridge1_004095
- SCHEMBL9565607
- DTXSID40384790
- 65972-19-2
-
- Inchi： 1S/C15H16O2S2/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
- InChI Key： RTSRWKKZGOXSNC-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(CCSC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 292.05928
- Monoisotopic Mass: 292.05917210g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 345
- 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-(phenylthio)ethyl]sulfonyl]- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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