Cas no 52323-93-0 (Benzene, 1-(methylsulfonyl)-4-(methylthio)-)
52323-93-0 structure
Product Name:Benzene, 1-(methylsulfonyl)-4-(methylthio)-
CAS No:52323-93-0
MF:C8H10O2S2
MW:202.293799877167
CID:359911
PubChem ID:4401629
Update Time:2025-04-19
Benzene, 1-(methylsulfonyl)-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(methylsulfonyl)-4-(methylthio)-
- 1-methylsulfanyl-4-methylsulfonylbenzene
- 1-Methanesulfonyl-4-methylsulfanyl-benzene
- DTXSID10402874
- WQSQZIZWXMYQGN-UHFFFAOYSA-N
- SCHEMBL2991047
- 52323-93-0
-
- Inchi： 1S/C8H10O2S2/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3
- InChI Key： WQSQZIZWXMYQGN-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=CC=1)SC)(=O)=O
Computed Properties
- Exact Mass: 202.0123
- Monoisotopic Mass: 202.01222190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 0.9
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Benzene, 1-(methylsulfonyl)-4-(methylthio)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
52323-93-0 (Benzene, 1-(methylsulfonyl)-4-(methylthio)-) Related Products
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