Cas no 61767-97-3 (Pyrimidine, 4-methyl-2-(2-propenylthio)-)
61767-97-3 structure
Product Name:Pyrimidine, 4-methyl-2-(2-propenylthio)-
CAS No:61767-97-3
MF:C8H10N2S
MW:166.243400096893
CID:466871
PubChem ID:12296223
Update Time:2025-04-19
Pyrimidine, 4-methyl-2-(2-propenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-methyl-2-(2-propenylthio)-
- 4-methyl-2-prop-2-enylsulfanylpyrimidine
- DTXSID10485602
- 61767-97-3
-
- Inchi： 1S/C8H10N2S/c1-3-6-11-8-9-5-4-7(2)10-8/h3-5H,1,6H2,2H3
- InChI Key： QUYDMKWGFXTGJW-UHFFFAOYSA-N
- SMILES： S(CC=C)C1=NC=CC(C)=N1
Computed Properties
- Exact Mass: 166.0566
- Monoisotopic Mass: 166.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 127
- 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: 2.1
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-methyl-2-(2-propenylthio)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
61767-97-3 (Pyrimidine, 4-methyl-2-(2-propenylthio)-) Related Products
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