Cas no 61634-96-6 (Ethanone, 2-(methylsulfinyl)-1-(2,4,6-trimethylphenyl)-)
61634-96-6 structure
Product Name:Ethanone, 2-(methylsulfinyl)-1-(2,4,6-trimethylphenyl)-
CAS No:61634-96-6
MF:C12H16O2S
MW:224.319242477417
CID:471954
PubChem ID:64640164
Update Time:2025-04-19
Ethanone, 2-(methylsulfinyl)-1-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-(methylsulfinyl)-1-(2,4,6-trimethylphenyl)-
- 2-methylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
- 2-(Methanesulfinyl)-1-(2,4,6-trimethylphenyl)ethan-1-one
- AKOS013966406
- 61634-96-6
- DTXSID40734796
-
- Inchi： 1S/C12H16O2S/c1-8-5-9(2)12(10(3)6-8)11(13)7-15(4)14/h5-6H,7H2,1-4H3
- InChI Key： NBEDEECEPHSICV-UHFFFAOYSA-N
- SMILES： S(C)(CC(C1C(C)=CC(C)=CC=1C)=O)=O
Computed Properties
- Exact Mass: 224.08718
- Monoisotopic Mass: 224.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 250
- 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
- Topological Polar Surface Area: 53.4?2
Experimental Properties
- PSA: 34.14
Ethanone, 2-(methylsulfinyl)-1-(2,4,6-trimethylphenyl)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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