Cas no 7400-04-6 (Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate)
![Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate structure](https://ossimg.kuujia.com/scimg/7500/7400-04-6x500.png)
7400-04-6 structure
Product Name:Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate
CAS No:7400-04-6
MF:C14H12Cl2N2O2S
MW:343.228280067444
CID:1763814
PubChem ID:246321
Update Time:2025-04-21
Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate
- ethyl 4-chloro-2-[(2-chlorobenzyl)sulfanyl]pyrimidine-5-carboxylate
- NSC59243
- AC1L6HSZ
- NCIOpen2_007937
- AC1Q3L88
- CTK5D9103
- AR-1I9206
- NSC-59243
- ethyl 4-chloro-2-[(2-chlorobenzyl)sulfanyl]pyrimidine-5-carboxylate; NSC59243; AC1L6HSZ; NCIOpen2_007937; AC1Q3L88; CTK5D9103; AR-1I9206; NSC-59243;
- Ethyl 4-chloro-2-{[(2-chlorophenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
- DTXSID10289107
- 7400-04-6
-
- Inchi： 1S/C14H12Cl2N2O2S/c1-2-20-13(19)10-7-17-14(18-12(10)16)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3
- InChI Key： UTVSBQWOLBMHCU-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1CSC1N=CC(C(=O)OCC)=C(N=1)Cl
Computed Properties
- Exact Mass: 341.99986
- Monoisotopic Mass: 341.9996542g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 349
- 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: 4.3
- Topological Polar Surface Area: 77.4?2
Experimental Properties
- PSA: 52.08
- LogP: 4.25240
Ethyl 4-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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