Cas no 90314-92-4 (Phenol, 4-[(2,2,2-trifluoroethyl)thio]-)
![Phenol, 4-[(2,2,2-trifluoroethyl)thio]- structure](https://ossimg.kuujia.com/scimg/90500/90314-92-4x500.png)
90314-92-4 structure
Product Name:Phenol, 4-[(2,2,2-trifluoroethyl)thio]-
CAS No:90314-92-4
MF:C8H7F3OS
MW:208.200791597366
CID:789466
PubChem ID:13272076
Update Time:2025-04-19
Phenol, 4-[(2,2,2-trifluoroethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[(2,2,2-trifluoroethyl)thio]-
- 4-(2,2,2-trifluoroethylsulfanyl)phenol
- SCHEMBL8669085
- 4-[(2,2,2-Trifluoroethyl)sulfanyl]phenol
- DTXSID70533678
- 4-((2,2,2-trifluoroethyl)thio)phenol
- 90314-92-4
- 4-(2,2,2-trifluoroethylthio)phenol
-
- Inchi： 1S/C8H7F3OS/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4,12H,5H2
- InChI Key： OXKJQDMEDQQVLD-UHFFFAOYSA-N
- SMILES： S(CC(F)(F)F)C1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 208.01697050g/mol
- Monoisotopic Mass: 208.01697050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 152
- 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: 3.2
- Topological Polar Surface Area: 45.5?2
Phenol, 4-[(2,2,2-trifluoroethyl)thio]- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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