Cas no 62665-45-6 (1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]-)
![1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]- structure](https://ossimg.kuujia.com/scimg/63000/62665-45-6x500.png)
62665-45-6 structure
Product Name:1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]-
CAS No:62665-45-6
MF:C5H4F3NOS
MW:183.151570320129
CID:436082
PubChem ID:21730932
Update Time:2025-04-19
1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]-
- 2-(trifluoromethylsulfinyl)-1H-pyrrole
- 2-(Trifluoromethanesulfinyl)-1H-pyrrole
- SCHEMBL10383043
- DTXSID00617511
- OPXRVAARIMIYQE-UHFFFAOYSA-N
- 62665-45-6
-
- Inchi： 1S/C5H4F3NOS/c6-5(7,8)11(10)4-2-1-3-9-4/h1-3,9H
- InChI Key： OPXRVAARIMIYQE-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1=CC=CN1)=O
Computed Properties
- Exact Mass: 182.99662
- Monoisotopic Mass: 182.99656941g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 32.86
1H-Pyrrole, 2-[(trifluoromethyl)sulfinyl]- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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