Cas no 62351-49-9 (Benzaldehyde, 2-(methylsulfinyl)-)
62351-49-9 structure
Product Name:Benzaldehyde, 2-(methylsulfinyl)-
CAS No:62351-49-9
MF:C8H8O2S
MW:168.212921142578
CID:448299
PubChem ID:12347335
Update Time:2025-04-19
Benzaldehyde, 2-(methylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-(methylsulfinyl)-
- 2-methylsulfinylbenzaldehyde
- 2-(methylsulfinyl)benzaldehyde
- DTXSID10492896
- 62351-49-9
- SCHEMBL535964
- GKNAAYXCSYJWCK-UHFFFAOYSA-N
- 2-(Methanesulfinyl)benzaldehyde
-
- Inchi： 1S/C8H8O2S/c1-11(10)8-5-3-2-4-7(8)6-9/h2-6H,1H3
- InChI Key： GKNAAYXCSYJWCK-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC=CC=1C=O)=O
Computed Properties
- Exact Mass: 168.02454
- Monoisotopic Mass: 168.02450067g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 168
- 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: 0.5
- Topological Polar Surface Area: 53.4?2
Experimental Properties
- PSA: 34.14
Benzaldehyde, 2-(methylsulfinyl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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
62351-49-9 (Benzaldehyde, 2-(methylsulfinyl)-) Related Products
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