Cas no 62772-96-7 (Pyrimidine, 4-(1-methylethyl)-2-(methylthio)-6-(trifluoromethyl)-)
62772-96-7 structure
Product Name:Pyrimidine, 4-(1-methylethyl)-2-(methylthio)-6-(trifluoromethyl)-
CAS No:62772-96-7
MF:C9H11F3N2S
MW:236.257251024246
CID:431759
PubChem ID:12324830
Update Time:2025-04-19
Pyrimidine, 4-(1-methylethyl)-2-(methylthio)-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-(1-methylethyl)-2-(methylthio)-6-(trifluoromethyl)-
- 2-methylsulfanyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
- SCHEMBL14572022
- DTXSID10489266
- 62772-96-7
- DKUGYKJGIQGXMR-UHFFFAOYSA-N
- 2-(Methylsulfanyl)-4-(propan-2-yl)-6-(trifluoromethyl)pyrimidine
-
- Inchi： 1S/C9H11F3N2S/c1-5(2)6-4-7(9(10,11)12)14-8(13-6)15-3/h4-5H,1-3H3
- InChI Key： DKUGYKJGIQGXMR-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(C(F)(F)F)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 236.05963
- Monoisotopic Mass: 236.05950402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 3.1
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-(1-methylethyl)-2-(methylthio)-6-(trifluoromethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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