Cas no 730-02-9 (Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]-)
![Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]- structure](https://ossimg.kuujia.com/scimg/1000/730-02-9x500.png)
730-02-9 structure
Product Name:Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]-
CAS No:730-02-9
MF:C14H11F3S
MW:268.297353029251
CID:543148
PubChem ID:71404307
Update Time:2025-04-19
Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]-
- 1-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene
- DTXSID70825161
- 1-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}benzene
- AOARMPYICAETBU-UHFFFAOYSA-N
- 730-02-9
-
- Inchi： 1S/C14H11F3S/c1-10-5-2-3-8-13(10)18-12-7-4-6-11(9-12)14(15,16)17/h2-9H,1H3
- InChI Key： AOARMPYICAETBU-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC(C(F)(F)F)=C1)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 268.05343
- Monoisotopic Mass: 268.05335601g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-methyl-2-[[3-(trifluoromethyl)phenyl]thio]- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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