Cas no 62772-99-0 (Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)-)
62772-99-0 structure
Product Name:Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)-
CAS No:62772-99-0
MF:C10H13F3N2S
MW:250.283831357956
CID:431756
PubChem ID:12324831
Update Time:2025-04-19
Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)-
- 4-(2-methylpropyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
- 4-(2-Methylpropyl)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
- 62772-99-0
- DTXSID70489267
-
- Inchi： 1S/C10H13F3N2S/c1-6(2)4-7-5-8(10(11,12)13)15-9(14-7)16-3/h5-6H,4H2,1-3H3
- InChI Key： QGFCJWNAUOONAM-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(C(F)(F)F)=CC(CC(C)C)=N1
Computed Properties
- Exact Mass: 250.07529
- Monoisotopic Mass: 250.07515408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 221
- 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: 3.6
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
62772-99-0 (Pyrimidine, 4-(2-methylpropyl)-2-(methylthio)-6-(trifluoromethyl)-) Related Products
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