![4-(2-Phthalimidoethyl)bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione](/api/spectrum/5zraPlXLicS/structure.png?h=300&w=458 "4-(2-Phthalimidoethyl)bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione")
| SpectraBase Compound ID | KYqhiJ2CYgN |
|---|---|
| InChI | InChI=1S/C16H8N2O4S5/c19-11-7-3-1-2-4-8(7)12(20)18(11)6-5-17-9-13(21)24-26-15(9)23-16-10(17)14(22)25-27-16/h1-4H,5-6H2 |
| InChIKey | YWTBBMQZSYCSOF-UHFFFAOYSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C16H8N2O4S5 |
| Exact Mass | 451.908763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5zraPlXLicS |
|---|---|
| Name | 4-(2-Phthalimidoethyl)bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H8N2O4S5 |
| InChI | InChI=1S/C16H8N2O4S5/c19-11-7-3-1-2-4-8(7)12(20)18(11)6-5-17-9-13(21)24-26-15(9)23-16-10(17)14(22)25-27-16/h1-4H,5-6H2 |
| InChIKey | YWTBBMQZSYCSOF-UHFFFAOYSA-N |
| Molecular Weight | 452.550 g/mol |
| SMILES | C12=C(N(CCN3C(c4ccccc4C3=O)=O)C3=C(S2)SSC3=O)C(=O)SS1 |
| SPLASH | splash10-0fkc-0961800000-adf52e23fd5f5d3e69af |
| Source of Spectrum | J-64-5015-8 |
| Synonyms | 4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazine-3,5-dione 4-[2-(1,3-dioxo-2-isoindolyl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]di[1,2]dithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione |
| Wiley ID | 1530635 |