Cas no 306978-72-3 (8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one)
![8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one structure](https://ossimg.kuujia.com/scimg/307000/306978-72-3x500.png)
306978-72-3 structure
Product Name:8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
CAS No:306978-72-3
MF:C9H9N3OS
MW:207.252259969711
CID:5694842
PubChem ID:2768973
Update Time:2023-10-14
8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 8-methyl-2-(methylthio)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
- AKOS004903131
- 8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a](1,3,5)triazin-4-one
- 12J-509S
- MFCD00243882
- 306978-72-3
- 8-methyl-2-methylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
- 8-methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
- 4H-Pyrido[1,2-a]-1,3,5-triazin-4-one, 8-methyl-2-(methylthio)-
- 8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one
-
- Inchi： 1S/C9H9N3OS/c1-6-3-4-12-7(5-6)10-8(14-2)11-9(12)13/h3-5H,1-2H3
- InChI Key： JPQADKCQFZOFCL-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(N2C=CC(C)=CC2=N1)=O
Computed Properties
- Exact Mass: 207.04663309g/mol
- Monoisotopic Mass: 207.04663309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 406
- 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: 1
- Topological Polar Surface Area: 70.3?2
Experimental Properties
- Density: 1.37±0.1 g/cm3(Predicted)
- Boiling Point: 324.5±25.0 °C(Predicted)
- pka: -2.89±0.20(Predicted)
8-Methyl-2-(methylsulfanyl)-4H-pyrido[1,2-a][1,3,5]triazin-4-one Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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