Cas no 123277-35-0 (Benzoic acid,4-methoxy-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester)
![Benzoic acid,4-methoxy-,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/123500/123277-35-0x500.png)
123277-35-0 structure
Product Name:Benzoic acid,4-methoxy-,2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-thieno[2,3-e]-1,2-thiazin-4-ylester
CAS No:123277-35-0
MF:C21H17N3O6S2
MW:471.506182432175
CID:191733
PubChem ID:3078947
Update Time:2025-04-19
Benzoic acid,4-methoxy-,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
-
- Benzoic acid,4-methoxy-,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] 4-methoxybenzoate
- Benzoic acid, 4-methoxy-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
- 123277-35-0
- DTXSID20153926
-
- Inchi： 1S/C21H17N3O6S2/c1-24-17(20(25)23-16-5-3-4-11-22-16)18(19-15(10-12-31-19)32(24,27)28)30-21(26)13-6-8-14(29-2)9-7-13/h3-12H,1-2H3,(H,22,23,25)
- InChI Key： XHWXIBRWSGTWSD-UHFFFAOYSA-N
- SMILES： S1(C2C=CSC=2C(=C(C(NC2C=CC=CN=2)=O)N1C)OC(C1C=CC(=CC=1)OC)=O)(=O)=O
Computed Properties
- Exact Mass: 471.05601
- Monoisotopic Mass: 471.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 863
- 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: 2.3
- Topological Polar Surface Area: 152?2
Experimental Properties
- Density: 1.55
- Refractive Index: 1.701
- PSA: 114.9
Benzoic acid,4-methoxy-,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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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