Cas no 159582-41-9 (5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester)
159582-41-9 structure
Product Name:5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester
CAS No:159582-41-9
MF:C8H12N2O2S
MW:200.258080482483
CID:109272
PubChem ID:11030840
Update Time:2025-04-18
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester
- ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-2-thioxo-,ethylester(9CI)
- 4-methyl-5-ethoxycarbonyl-1,2,3,6-tetrahydropyrimidine-2-thione
- 159582-41-9
-
- Inchi： 1S/C8H12N2O2S/c1-3-12-7(11)6-4-9-8(13)10-5(6)2/h3-4H2,1-2H3,(H2,9,10,13)
- InChI Key： ZOKVPLPKPIHCSJ-UHFFFAOYSA-N
- SMILES： S=C1NC(C)=C(C(=O)OCC)CN1
Computed Properties
- Exact Mass: 200.06194880g/mol
- Monoisotopic Mass: 200.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 273
- 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: 0.3
- Topological Polar Surface Area: 82.4?2
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, ethyl ester Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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