Cas no 813453-74-6 (5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propen-1-yl ester)
813453-74-6 structure
Product Name:5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propen-1-yl ester
CAS No:813453-74-6
MF:C9H12N2O2S
MW:212.268780708313
CID:715409
PubChem ID:16078367
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propen-1-yl ester
- 5-Pyrimidinecarboxylicacid,1,2,3,6-tetrahydro-4-methyl-2-thioxo-,2-propenylester(9CI)
- prop-2-enyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- SCHEMBL5792565
- 813453-74-6
- allyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 5-pyrimidinecarboxylic acid,1,2,3,6-tetrahydro-4-methyl-2-thioxo-,2-propenyl ester
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- Inchi： 1S/C9H12N2O2S/c1-3-4-13-8(12)7-5-10-9(14)11-6(7)2/h3H,1,4-5H2,2H3,(H2,10,11,14)
- InChI Key： GXZVLQIZCBSXTL-UHFFFAOYSA-N
- SMILES： S=C1NC(C)=C(C(=O)OCC=C)CN1
Computed Properties
- Exact Mass: 212.06194880g/mol
- Monoisotopic Mass: 212.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 310
- 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: 0.6
- Topological Polar Surface Area: 82.4?2
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propen-1-yl ester Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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