Cas no 62384-70-7 (Benzene, 1-methyl-3-(2-propenylsulfonyl)-)
62384-70-7 structure
Product Name:Benzene, 1-methyl-3-(2-propenylsulfonyl)-
CAS No:62384-70-7
MF:C10H12O2S
MW:196.266081809998
CID:446713
PubChem ID:71386915
Update Time:2025-04-19
Benzene, 1-methyl-3-(2-propenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-3-(2-propenylsulfonyl)-
- 1-methyl-3-prop-2-enylsulfonylbenzene
- 62384-70-7
- 1-Methyl-3-(prop-2-ene-1-sulfonyl)benzene
- DTXSID40809059
-
- Inchi： 1S/C10H12O2S/c1-3-7-13(11,12)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3
- InChI Key： GVIDGEFGNMIKGG-UHFFFAOYSA-N
- SMILES： S(CC=C)(C1C=CC=C(C)C=1)(=O)=O
Computed Properties
- Exact Mass: 196.05586
- Monoisotopic Mass: 196.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 2.2
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 1-methyl-3-(2-propenylsulfonyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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