Cas no 71790-50-6 (Benzene, 1-(methylsulfinyl)-4-(methylthio)-)
71790-50-6 structure
Product Name:Benzene, 1-(methylsulfinyl)-4-(methylthio)-
CAS No:71790-50-6
MF:C8H10OS2
MW:186.294399738312
CID:1755458
PubChem ID:71404589
Update Time:2025-04-21
Benzene, 1-(methylsulfinyl)-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(methylsulfinyl)-4-(methylthio)-
- 1-methylsulfanyl-4-methylsulfinylbenzene
- DTXSID30825425
- 71790-50-6
- 1-(Methanesulfinyl)-4-(methylsulfanyl)benzene
- SCHEMBL23554859
-
- Inchi： 1S/C8H10OS2/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3
- InChI Key： MPSHFDFKCWGRAP-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=CC=1)SC)=O
Computed Properties
- Exact Mass: 186.0174
- Monoisotopic Mass: 186.01730729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 17.07
Benzene, 1-(methylsulfinyl)-4-(methylthio)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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
71790-50-6 (Benzene, 1-(methylsulfinyl)-4-(methylthio)-) Related Products
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