Cas no 55199-59-2 (6-chloro-N,N-diethyl-2-(methylthio)pyrimidin-4-amine)
55199-59-2 structure
Product Name:6-chloro-N,N-diethyl-2-(methylthio)pyrimidin-4-amine
CAS No:55199-59-2
MF:C9H14ClN3S
MW:231.745559215546
CID:1113806
PubChem ID:79022633
Update Time:2025-04-20
6-chloro-N,N-diethyl-2-(methylthio)pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-N,N-diethyl-2-(methylthio)pyrimidin-4-amine
- 6-chloro-N,N-diethyl-2-(methylthio)pyrimidine-4-amine
- 2-Methylthio-4-chloro-6-diethylaminopyrimidine
- SCHEMBL11371937
- AKOS017562143
- DB-325512
- 55199-59-2
-
- Inchi： 1S/C9H14ClN3S/c1-4-13(5-2)8-6-7(10)11-9(12-8)14-3/h6H,4-5H2,1-3H3
- InChI Key： OLTTVXXDXFNQRW-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)SC)N(CC)CC
Computed Properties
- Exact Mass: 231.05992
- Monoisotopic Mass: 231.0596963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 166
- 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: 3.2
- Topological Polar Surface Area: 54.3?2
Experimental Properties
- Density: 1.22±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.12 g/l) (25 o C),
- PSA: 29.02
6-chloro-N,N-diethyl-2-(methylthio)pyrimidin-4-amine Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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