Cas no 774-71-0 (3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol)
![3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol structure](https://ossimg.kuujia.com/scimg/1000/774-71-0x500.png)
774-71-0 structure
Product Name:3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol
CAS No:774-71-0
MF:C8H7F3OS
MW:208.200791597366
CID:2801787
PubChem ID:14772300
Update Time:2025-04-21
3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol
- QQMUHYLGJRKANG-UHFFFAOYSA-N
- 774-71-0
- DTXSID40563861
- SCHEMBL9694900
- 3-methyl-4-((trifluoromethyl)thio)phenol
-
- Inchi： 1S/C8H7F3OS/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-4,12H,1H3
- InChI Key： QQMUHYLGJRKANG-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=CC(=CC=1C)O
Computed Properties
- Exact Mass: 208.01697050Da
- Monoisotopic Mass: 208.01697050Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 171
- 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: 3.7
- Topological Polar Surface Area: 45.5?2
3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
774-71-0 (3-Methyl-4-[(trifluoromethyl)sulfanyl]phenol) Related Products
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