Cas no 7321-56-4 (Benzene, 1-methyl-2-(methylsulfinyl)-)
7321-56-4 structure
Product Name:Benzene, 1-methyl-2-(methylsulfinyl)-
CAS No:7321-56-4
MF:C8H10OS
MW:154.229401111603
CID:542836
PubChem ID:5324188
Update Time:2025-04-19
Benzene, 1-methyl-2-(methylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-2-(methylsulfinyl)-
- 1-methyl-2-methylsulfinylbenzene
- 1-Methyl-2-(methylsulfinyl)benzene
- Methyl 2-methylphenyl sulfoxide
- SCHEMBL1642155
- DTXSID70415889
- 7321-56-4
- o-tolyl methyl sulfoxide
-
- Inchi： 1S/C8H10OS/c1-7-5-3-4-6-8(7)10(2)9/h3-6H,1-2H3
- InChI Key： FMFAHVFEPAMZQL-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 154.0453
- Monoisotopic Mass: 154.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 1.4
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- Density: 1.15
- Boiling Point: 289.9°C at 760 mmHg
- Flash Point: 129.1°C
- Refractive Index: 1.59
- PSA: 17.07
Benzene, 1-methyl-2-(methylsulfinyl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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