Cas no 746620-56-4 (Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)-)
746620-56-4 structure
Product Name:Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)-
CAS No:746620-56-4
MF:C9H10N2O2S
MW:210.252900600433
CID:560903
Update Time:2024-03-05
Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)-
- Pyrimidine, 4-ethyl-6-ethynyl-2-(methylsulfonyl)- (9CI)
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- Inchi： 1S/C9H10N2O2S/c1-4-7-6-8(5-2)11-9(10-7)14(3,12)13/h1,6H,5H2,2-3H3
- InChI Key： LFROJPRCQUVRPI-UHFFFAOYSA-N
- SMILES： C1(S(C)(=O)=O)=NC(C#C)=CC(CC)=N1
Computed Properties
- Exact Mass: 210.046
- Monoisotopic Mass: 210.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 336
- 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
- Topological Polar Surface Area: 68.3A^2
Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
746620-56-4 (Pyrimidine,4-ethyl-6-ethynyl-2-(methylsulfonyl)-) Related Products
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