Cas no 62665-49-0 (1H-Indole, 3-[(trifluoromethyl)thio]-)
![1H-Indole, 3-[(trifluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/63000/62665-49-0x500.png)
62665-49-0 structure
Product Name:1H-Indole, 3-[(trifluoromethyl)thio]-
CAS No:62665-49-0
MF:C9H6F3NS
MW:217.210851192474
CID:436078
PubChem ID:15335351
Update Time:2025-04-19
1H-Indole, 3-[(trifluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 3-[(trifluoromethyl)thio]-
- 3-(trifluoromethylsulfanyl)-1H-indole
- 3-trifluoromethylthioindole
- DTXSID20571681
- SCHEMBL4437539
- VPEMXTXUUMXJNY-UHFFFAOYSA-N
- 3-[(Trifluoromethyl)thio]-1H-indole
- 3-((Trifluoromethyl)thio)-1H-indole
- 3-[(Trifluoromethyl)sulfanyl]-1H-indole
- 62665-49-0
-
- Inchi： 1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H
- InChI Key： VPEMXTXUUMXJNY-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1=CNC2C=CC=CC=21
Computed Properties
- Exact Mass: 217.01738
- Monoisotopic Mass: 217.01730486g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 207
- 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: 3.4
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 15.79
1H-Indole, 3-[(trifluoromethyl)thio]- Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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