Cas no 7559-49-1 (Methanesulfonothioic acid, S-(4-methylphenyl) ester)
7559-49-1 structure
Product Name:Methanesulfonothioic acid, S-(4-methylphenyl) ester
CAS No:7559-49-1
MF:C8H10O2S2
MW:202.293799877167
CID:539293
PubChem ID:13816454
Update Time:2025-04-19
Methanesulfonothioic acid, S-(4-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonothioic acid, S-(4-methylphenyl) ester
- 1-methyl-4-methylsulfonylsulfanylbenzene
- DTXSID80550437
- 7559-49-1
- S-(4-Methylphenyl) methanesulfonothioate
-
- Inchi： 1S/C8H10O2S2/c1-7-3-5-8(6-4-7)11-12(2,9)10/h3-6H,1-2H3
- InChI Key： YWYWICXFUWIEGR-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)SC1C=CC(C)=CC=1
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: 2
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Methanesulfonothioic acid, S-(4-methylphenyl) ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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