Cas no 276873-25-7 (1-(4-Methylphenyl)-5-(9H-purin-6-ylthio)-1-pentanone)
276873-25-7 structure
Product Name:1-(4-Methylphenyl)-5-(9H-purin-6-ylthio)-1-pentanone
CAS No:276873-25-7
MF:C17H18N4OS
MW:326.416021823883
CID:6626557
Update Time:2024-01-15
1-(4-Methylphenyl)-5-(9H-purin-6-ylthio)-1-pentanone Chemical and Physical Properties
Names and Identifiers
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- 1-(4-Methylphenyl)-5-(9H-purin-6-ylthio)-1-pentanone
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- Inchi： 1S/C17H18N4OS/c1-12-5-7-13(8-6-12)14(22)4-2-3-9-23-17-15-16(19-10-18-15)20-11-21-17/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20,21)
- InChI Key： KOINGABDEZWOGV-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(C)C=C1)(=O)CCCCSC1=C2C(=NC=N1)NC=N2
Experimental Properties
- Density: 1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Melting Point: 175-176 °C
- Boiling Point: 612.8±50.0 °C(Predicted)
- pka: 8.88±0.10(Predicted)
1-(4-Methylphenyl)-5-(9H-purin-6-ylthio)-1-pentanone Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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