Cas no 88489-59-2 (Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester)
![Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester structure](https://ossimg.kuujia.com/scimg/88500/88489-59-2x500.png)
88489-59-2 structure
Product Name:Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester
CAS No:88489-59-2
MF:C9H7F3O2S
MW:236.210891962051
CID:630807
PubChem ID:15584687
Update Time:2025-04-19
Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester
- methyl 3-(trifluoromethylsulfanyl)benzoate
- DTXSID40575040
- 88489-59-2
- REUPLSCMAFXGJM-UHFFFAOYSA-N
- Methyl 3-[(trifluoromethyl)sulfanyl]benzoate
- SCHEMBL17714287
-
- Inchi： 1S/C9H7F3O2S/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3
- InChI Key： REUPLSCMAFXGJM-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1=CC=CC(C(=O)OC)=C1
Computed Properties
- Exact Mass: 236.01188512g/mol
- Monoisotopic Mass: 236.01188512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 3.9
- Topological Polar Surface Area: 51.6?2
Benzoic acid, 3-[(trifluoromethyl)thio]-, methyl ester Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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