Cas no 648906-23-4 (Benzene, 4-bromo-1-(methylsulfonyl)-2-(methylthio)-)
648906-23-4 structure
Product Name:Benzene, 4-bromo-1-(methylsulfonyl)-2-(methylthio)-
CAS No:648906-23-4
MF:C8H9BrO2S2
MW:281.18985915184
CID:412803
PubChem ID:68517408
Update Time:2025-04-19
Benzene, 4-bromo-1-(methylsulfonyl)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-bromo-1-(methylsulfonyl)-2-(methylthio)-
- 4-bromo-2-methylsulfanyl-1-methylsulfonylbenzene
- FDPKNIMPZNOEIH-UHFFFAOYSA-N
- 4-Bromo-1-methanesulfonyl-2-methylsulfanyl-benzene
- SCHEMBL3115428
- 648906-23-4
- DTXSID60738498
- 4-Bromo-1-(methanesulfonyl)-2-(methylsulfanyl)benzene
-
- Inchi: 1S/C8H9BrO2S2/c1-12-7-5-6(9)3-4-8(7)13(2,10)11/h3-5H,1-2H3
- InChI Key: FDPKNIMPZNOEIH-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=C(C=1)SC)S(C)(=O)=O
Computed Properties
- Exact Mass: 279.92277
- Monoisotopic Mass: 279.92273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 258
- 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: 2.4
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Benzene, 4-bromo-1-(methylsulfonyl)-2-(methylthio)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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