Cas no 1378865-49-6 (Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate)
1378865-49-6 structure
Product Name:Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CAS No:1378865-49-6
MF:C8H9ClN2O2S
MW:232.687259435654
CID:1080365
PubChem ID:72206965
Update Time:2025-04-20
Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
- METHYL 5-CHLORO-6-METHYL-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXYLATE
- 1378865-49-6
-
- Inchi： 1S/C8H9ClN2O2S/c1-4-5(9)6(7(12)13-2)11-8(10-4)14-3/h1-3H3
- InChI Key： BKHXXXGQHQFJNG-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OC)N=C(N=C1C)SC
Computed Properties
- Exact Mass: 232.0073264g/mol
- Monoisotopic Mass: 232.0073264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 218
- 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: 2.3
- Topological Polar Surface Area: 77.4?2
Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
1378865-49-6 (Methyl 5-chloro-6-methyl-2-methylsulfanylpyrimidine-4-carboxylate) Related Products
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