Cas no 6739-66-8 (Acetaldehyde, [(4-methylphenyl)sulfonyl]-)
![Acetaldehyde, [(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/7000/6739-66-8x500.png)
6739-66-8 structure
Product Name:Acetaldehyde, [(4-methylphenyl)sulfonyl]-
CAS No:6739-66-8
MF:C9H10O3S
MW:198.238901615143
CID:394901
PubChem ID:13643154
Update Time:2025-04-19
Acetaldehyde, [(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetaldehyde, [(4-methylphenyl)sulfonyl]-
- 2-(4-methylphenyl)sulfonylacetaldehyde
- 6739-66-8
- DTXSID40545728
- SCHEMBL11024014
- CS-0380563
- AKOS015567509
- 2-Tosylacetaldehyde
- (4-Methylbenzene-1-sulfonyl)acetaldehyde
-
- Inchi： 1S/C9H10O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-6H,7H2,1H3
- InChI Key： ZUXWOUUBOVROPH-UHFFFAOYSA-N
- SMILES： S(CC=O)(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 198.0351
- Monoisotopic Mass: 198.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 255
- 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: 1.1
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
Acetaldehyde, [(4-methylphenyl)sulfonyl]- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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