Cas no 7506-94-7 (5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-(2-methoxyethyl)-6-oxo-2-thioxo-, ethyl ester)
7506-94-7 structure
Product Name:5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-(2-methoxyethyl)-6-oxo-2-thioxo-, ethyl ester
CAS No:7506-94-7
MF:C10H14N2O4S
MW:258.294161319733
CID:577107
PubChem ID:3313867
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-(2-methoxyethyl)-6-oxo-2-thioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-(2-methoxyethyl)-6-oxo-2-thioxo-, ethyl ester
- ethyl 3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
- 7506-94-7
- DTXSID20391366
- NSC-407847
- NSC407847
-
- Inchi： 1S/C10H14N2O4S/c1-3-16-9(14)7-6-11-10(17)12(8(7)13)4-5-15-2/h6H,3-5H2,1-2H3,(H,11,17)
- InChI Key： TUEVGOHGWWRBOW-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(=O)OCC)C(N1CCOC)=O
Computed Properties
- Exact Mass: 258.06752
- Monoisotopic Mass: 258.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 367
- 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: 0.1
- Topological Polar Surface Area: 100?2
Experimental Properties
- Density: 1.32
- Boiling Point: 358.4°Cat760mmHg
- Flash Point: 170.6°C
- Refractive Index: 1.575
- PSA: 67.87
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-(2-methoxyethyl)-6-oxo-2-thioxo-, ethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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