Cas no 61166-72-1 (Benzene, 4-(2,3-dimethylphenoxy)-1-methyl-2-(propylsulfinyl)-)
61166-72-1 structure
Product Name:Benzene, 4-(2,3-dimethylphenoxy)-1-methyl-2-(propylsulfinyl)-
CAS No:61166-72-1
MF:C18H22O2S
MW:302.431084156036
CID:490011
PubChem ID:71398760
Update Time:2025-04-19
Benzene, 4-(2,3-dimethylphenoxy)-1-methyl-2-(propylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 4-(2,3-dimethylphenoxy)-1-methyl-2-(propylsulfinyl)-
- 1,2-dimethyl-3-(4-methyl-3-propylsulfinylphenoxy)benzene
- DTXSID40820168
- 61166-72-1
- 1,2-Dimethyl-3-[4-methyl-3-(propane-1-sulfinyl)phenoxy]benzene
-
- Inchi： 1S/C18H22O2S/c1-5-11-21(19)18-12-16(10-9-14(18)3)20-17-8-6-7-13(2)15(17)4/h6-10,12H,5,11H2,1-4H3
- InChI Key： HSMFMSBCHRCOJG-UHFFFAOYSA-N
- SMILES： S(CCC)(C1C=C(C=CC=1C)OC1C=CC=C(C)C=1C)=O
Computed Properties
- Exact Mass: 302.13416
- Monoisotopic Mass: 302.13405111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 344
- 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: 4.5
- Topological Polar Surface Area: 45.5?2
Experimental Properties
- PSA: 26.3
Benzene, 4-(2,3-dimethylphenoxy)-1-methyl-2-(propylsulfinyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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