Cas no 64679-72-7 (Pyrimidine, 4-chloro-5-ethyl-2-(ethylthio)-6-methyl-)
64679-72-7 structure
Product Name:Pyrimidine, 4-chloro-5-ethyl-2-(ethylthio)-6-methyl-
CAS No:64679-72-7
MF:C9H13ClN2S
MW:216.730919599533
CID:1680399
Update Time:2024-08-30
Pyrimidine, 4-chloro-5-ethyl-2-(ethylthio)-6-methyl- Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 4-chloro-5-ethyl-2-(ethylthio)-6-methyl-
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- Inchi： 1S/C9H13ClN2S/c1-4-7-6(3)11-9(13-5-2)12-8(7)10/h4-5H2,1-3H3
- InChI Key： LRAUKHFMXLZKCE-UHFFFAOYSA-N
- SMILES： C1(SCC)=NC(C)=C(CC)C(Cl)=N1
Computed Properties
- Exact Mass: 216.04899
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 177-180 °C(Press: 21-23 Torr)
- PSA: 25.78
- pka: 0.32±0.50(Predicted)
Pyrimidine, 4-chloro-5-ethyl-2-(ethylthio)-6-methyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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