Cas no 200000-17-5 (6-Chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl chloride)
200000-17-5 structure
Product Name:6-Chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl chloride
CAS No:200000-17-5
MF:C6H4Cl2N2OS
MW:223.07975769043
CID:2840178
PubChem ID:71357434
Update Time:2025-04-21
6-Chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00781509
- 6-Chloro-2-(methylthio)pyrimidine-4-carbonyl chloride
- 6-Chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl chloride
- SCHEMBL5850051
- 200000-17-5
-
- Inchi： 1S/C6H4Cl2N2OS/c1-12-6-9-3(5(8)11)2-4(7)10-6/h2H,1H3
- InChI Key： KOASFDHANLMFGZ-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)Cl)=NC(=N1)SC
Computed Properties
- Exact Mass: 221.9421393Da
- Monoisotopic Mass: 221.9421393Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- 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: 2.9
- Topological Polar Surface Area: 68.2?2
6-Chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl chloride Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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