Cas no 77919-66-5 (Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]-)
![Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]- structure](https://ossimg.kuujia.com/scimg/78000/77919-66-5x500.png)
77919-66-5 structure
Product Name:Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]-
CAS No:77919-66-5
MF:C11H16OS
MW:196.309142112732
CID:565651
PubChem ID:144841
Update Time:2025-04-19
Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]-
- Isobutyl-p-methylphenyl sulfoxide
- 1-Methyl-4-(2-methylpropane-1-sulfinyl)benzene
- 77919-66-5
- DTXSID80999120
-
- Inchi： 1S/C11H16OS/c1-9(2)8-13(12)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
- InChI Key： UUTSHQRWCJKXFT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(CC(C)C)=O
Computed Properties
- Exact Mass: 342.2019
- Monoisotopic Mass: 196.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 169
- 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: 2.7
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- Density: 1.07
- Boiling Point: 318.3°C at 760 mmHg
- Flash Point: 146.3°C
- Refractive Index: 1.555
- PSA: 17.07
Benzene,1-methyl-4-[(2-methylpropyl)sulfinyl]- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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