Cas no 1150644-53-3 (6-Ethyl-2-(methylsulfonyl)pyrimidine-4-carboxylic acid)
1150644-53-3 structure
Product Name:6-Ethyl-2-(methylsulfonyl)pyrimidine-4-carboxylic acid
CAS No:1150644-53-3
MF:C8H10N2O4S
MW:230.241000652313
CID:1083266
PubChem ID:54759244
Update Time:2025-04-20
6-Ethyl-2-(methylsulfonyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-Ethyl-2-(methylsulfonyl)pyrimidine-4-carboxylic acid
- 6-ethyl-2-(methanesulfonyl)pyrimidine-4-carboxylic acid
- 6-ethyl-2-methylsulfonylpyrimidine-4-carboxylic acid
- 1150644-53-3
- SCHEMBL1179309
- BMZZZPQYFFSOGQ-UHFFFAOYSA-N
- DB-060692
- 6-ethyl-2-methanesulfonyl-pyrimidine-4-carboxylic acid
-
- Inchi： 1S/C8H10N2O4S/c1-3-5-4-6(7(11)12)10-8(9-5)15(2,13)14/h4H,3H2,1-2H3,(H,11,12)
- InChI Key： BMZZZPQYFFSOGQ-UHFFFAOYSA-N
- SMILES： S(C)(C1=NC(C(=O)O)=CC(CC)=N1)(=O)=O
Computed Properties
- Exact Mass: 230.03612798g/mol
- Monoisotopic Mass: 230.03612798g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 335
- 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: 0.5
- Topological Polar Surface Area: 106?2
6-Ethyl-2-(methylsulfonyl)pyrimidine-4-carboxylic acid Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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