Cas no 2111321-85-6 (Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate)
2111321-85-6 structure
Product Name:Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate
CAS No:2111321-85-6
MF:C9H12N2O4S
MW:244.2676
CID:4756762
Update Time:2025-07-30
Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate
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- Inchi： 1S/C9H12N2O4S/c1-4-15-8(12)7-5-6(2)10-9(11-7)16(3,13)14/h5H,4H2,1-3H3
- InChI Key： HTTOREIQPAVBIW-UHFFFAOYSA-N
- SMILES： S(C([H])([H])[H])(C1N=C(C(=O)OC([H])([H])C([H])([H])[H])C([H])=C(C([H])([H])[H])N=1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 349
- XLogP3: 0.7
- Topological Polar Surface Area: 94.6
Experimental Properties
- Density: 1.297±0.06 g/cm3(Predicted)
- Boiling Point: 425.7±37.0 °C(Predicted)
- pka: -4.92±0.30(Predicted)
Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| AstaTech | AT42025-0.25g |
ETHYL 6-METHYL-2-(METHYLSULFONYL)PYRIMIDINE-4-CARBOXYLATE |
2111321-85-6 | 95 % | 0.25g |
$169 | 2024-03-04 | |
| AstaTech | AT42025-1g |
ETHYL 6-METHYL-2-(METHYLSULFONYL)PYRIMIDINE-4-CARBOXYLATE |
2111321-85-6 | 95 % | 1g |
$299 | 2024-03-04 |
Ethyl 6-methyl-2-(methylsulfonyl)pyrimidine-4-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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