Cas no 123253-04-3 (Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester)
![Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester structure](https://ossimg.kuujia.com/scimg/123500/123253-04-3x500.png)
123253-04-3 structure
Product Name:Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester
CAS No:123253-04-3
MF:C18H19N3O5S2
MW:421.490561723709
CID:202127
PubChem ID:3078940
Update Time:2025-04-19
Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester
- [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] 2,2-dimethylpropanoate
- Propanoic acid, 2,2-dimethyl-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
- 123253-04-3
- DTXSID90153918
-
- Inchi： 1S/C18H19N3O5S2/c1-18(2,3)17(23)26-14-13(16(22)20-12-7-5-6-9-19-12)21(4)28(24,25)11-8-10-27-15(11)14/h5-10H,1-4H3,(H,19,20,22)
- InChI Key： TWGBQNRSOGHBMD-UHFFFAOYSA-N
- SMILES： S1(C2C=CSC=2C(=C(C(NC2C=CC=CN=2)=O)N1C)OC(C(C)(C)C)=O)(=O)=O
Computed Properties
- Exact Mass: 421.07677
- Monoisotopic Mass: 421.07661306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 782
- 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: 2.1
- Topological Polar Surface Area: 142?2
Experimental Properties
- PSA: 105.67
Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
123253-04-3 (Propanoic acid,2,2-dimethyl-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester) Related Products
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