Cas no 71552-17-5 (5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester)
![5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/72000/71552-17-5x500.png)
71552-17-5 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester
CAS No:71552-17-5
MF:C14H14ClN3O2S
MW:323.797860622406
CID:548322
Update Time:2024-03-05
5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester
- Ethyl 4-amino-2-[p-chlorobenzylthio]-5-pyrimidinecarboxylate
- 5-Pyrimidinecarboxylic acid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester
-
- Inchi： 1S/C14H14ClN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H2,16,17,18)
- InChI Key： PPMPGYXAMFTXBR-UHFFFAOYSA-N
- SMILES： C1(SCC2=CC=C(Cl)C=C2)=NC=C(C(OCC)=O)C(N)=N1
Computed Properties
- Exact Mass: 323.05
- Monoisotopic Mass: 323.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 340
- 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
Experimental Properties
- Density: 1.39±0.1 g/cm3(Predicted)
- Boiling Point: 496.4±40.0 °C(Predicted)
- pka: 1.96±0.10(Predicted)
5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
71552-17-5 (5-Pyrimidinecarboxylicacid, 4-amino-2-[[(4-chlorophenyl)methyl]thio]-, ethyl ester) Related Products
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