Cas no 276873-36-0 (1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone)
![1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone structure](https://ossimg.kuujia.com/scimg/277000/276873-36-0x500.png)
276873-36-0 structure
Product Name:1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone
CAS No:276873-36-0
MF:C18H20N4OS
MW:340.442602157593
CID:6626554
Update Time:2024-01-15
1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone Chemical and Physical Properties
Names and Identifiers
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- 1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone
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- Inchi： 1S/C18H20N4OS/c1-13-6-8-14(9-7-13)15(23)5-3-4-10-24-18-16-17(19-11-20-18)22(2)12-21-16/h6-9,11-12H,3-5,10H2,1-2H3
- InChI Key： NEEGUXSYIZJQBS-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(C)C=C1)(=O)CCCCSC1=C2C(=NC=N1)N(C)C=N2
Experimental Properties
- Density: 1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Melting Point: 168-170 °C(Solvent: Acetone)
- Boiling Point: 557.2±60.0 °C(Predicted)
- pka: 1.97±0.10(Predicted)
1-(4-Methylphenyl)-5-[(9-methyl-9H-purin-6-yl)thio]-1-pentanone Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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