Cas no 68978-36-9 (Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-)
![Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/69000/68978-36-9x500.png)
68978-36-9 structure
Product Name:Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-
CAS No:68978-36-9
MF:C11H14O2S
MW:210.292662143707
CID:392400
PubChem ID:12452500
Update Time:2025-04-19
Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-
- 1-but-3-en-2-ylsulfonyl-4-methylbenzene
- SCHEMBL11247407
- DTXSID00498862
- 1-(But-3-ene-2-sulfonyl)-4-methylbenzene
- 68978-36-9
-
- Inchi： 1S/C11H14O2S/c1-4-10(3)14(12,13)11-7-5-9(2)6-8-11/h4-8,10H,1H2,2-3H3
- InChI Key： MOUSGLZFXCCZCQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(C(C=C)C)(=O)=O
Computed Properties
- Exact Mass: 210.07152
- Monoisotopic Mass: 210.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 279
- 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: 2.6
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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