Cas no 62772-92-3 (Pyrimidine, 4-ethyl-2-(methylthio)-6-(trifluoromethyl)-)
62772-92-3 structure
Product Name:Pyrimidine, 4-ethyl-2-(methylthio)-6-(trifluoromethyl)-
CAS No:62772-92-3
MF:C8H9F3N2S
MW:222.230670690536
CID:431763
PubChem ID:12324828
Update Time:2025-04-19
Pyrimidine, 4-ethyl-2-(methylthio)-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-ethyl-2-(methylthio)-6-(trifluoromethyl)-
- 4-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
- 4-Ethyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
- 62772-92-3
- DTXSID90489264
-
- Inchi： 1S/C8H9F3N2S/c1-3-5-4-6(8(9,10)11)13-7(12-5)14-2/h4H,3H2,1-2H3
- InChI Key： IBBLWRRLLPQKRX-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(C(F)(F)F)=CC(CC)=N1
Computed Properties
- Exact Mass: 222.04397
- Monoisotopic Mass: 222.04385396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 2.8
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-ethyl-2-(methylthio)-6-(trifluoromethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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