Cas no 773873-91-9 (BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER)
![BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER structure](https://ossimg.kuujia.com/scimg/774000/773873-91-9x500.png)
773873-91-9 structure
Product Name:BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER
CAS No:773873-91-9
MF:C9H7F3O2S
MW:236.210891962051
CID:3386065
PubChem ID:86003657
Update Time:2025-04-21
BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER
- 773873-91-9
- methyl 2-((trifluoromethyl)thio)benzoate
- Methyl 2-(trifluoromethylsulfanyl)benzoate
- Methyl 2-(trifluoromethylthio)benzoate
- JLTVGLNKVDJXRZ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7F3O2S/c1-14-8(13)6-4-2-3-5-7(6)15-9(10,11)12/h2-5H,1H3
- InChI Key： JLTVGLNKVDJXRZ-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=CC=CC=1C(=O)OC
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: 3.5
- Topological Polar Surface Area: 51.6?2
BENZOIC ACID, 2-[(TRIFLUOROMETHYL)THIO]-, METHYL ESTER Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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