Cas no 6944-75-8 (5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester)
![5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/7000/6944-75-8x500.png)
6944-75-8 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester
CAS No:6944-75-8
MF:C14H11Cl3N2O2S
MW:377.673339128494
CID:514303
PubChem ID:246275
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester
- ethyl 4-chloro-2-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate
- AC1L6HPE
- AC1Q3N13
- AR-1I9205
- CTK5C9906
- ethyl 4-chloro-2-[(2,4-dichlorobenzyl)sulfanyl]pyrimidine-5-carboxylate
- NSC58981
- NSC-58981
- 6944-75-8
- DTXSID00289090
- Ethyl 4-chloro-2-((2,4-dichlorobenzyl)thio)pyrimidine-5-carboxylate
-
- Inchi： 1S/C14H11Cl3N2O2S/c1-2-21-13(20)10-6-18-14(19-12(10)17)22-7-8-3-4-9(15)5-11(8)16/h3-6H,2,7H2,1H3
- InChI Key： ZDGWAUNVURHYEO-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CSC1N=CC(C(=O)OCC)=C(N=1)Cl)Cl
Computed Properties
- Exact Mass: 375.96100
- Monoisotopic Mass: 375.960682g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 378
- 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: 5
- Topological Polar Surface Area: 77.4?2
Experimental Properties
- PSA: 77.38000
- LogP: 4.90580
5-Pyrimidinecarboxylicacid, 4-chloro-2-[[(2,4-dichlorophenyl)methyl]thio]-, ethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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