![2-(Methylsulfanyl)-5-[(5-([5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl)-2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole](/api/spectrum/9rEUq8xLvfO/structure.png?h=300&w=458 "2-(Methylsulfanyl)-5-[(5-([5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl)-2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole")
| SpectraBase Compound ID | DxyjTPyGi27 |
|---|---|
| InChI | InChI=1S/C12H8N6O4S6/c1-23-9-13-15-11(27-9)25-7-4-8(26-12-16-14-10(24-2)28-12)6(18(21)22)3-5(7)17(19)20/h3-4H,1-2H3 |
| InChIKey | JCXHVNKKIKYMEG-UHFFFAOYSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C12H8N6O4S6 |
| Exact Mass | 491.89313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rEUq8xLvfO |
|---|---|
| Name | 2-(Methylsulfanyl)-5-[(5-([5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl)-2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole |
| Alternate Name(s) | 1,5-Bis(5-methylthio-1,3,4-thiadiazole-2-ylthio)-2,4-dinitrobenzene 2-(methylthio)-5-[[5-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-2,4-dinitro-phenyl]thio]-1,3,4-thiadiazole 2-(methylthio)-5-[[5-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-2,4-dinitrophenyl]thio]-1,3,4-thiadiazole 2-Methylsulfanyl-5-[5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,4-dinitrophenyl]sulfanyl-1,3,4-thiadiazole |
| CAS Registry Number | 79236-81-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H8N6O4S6 |
| InChI | InChI=1S/C12H8N6O4S6/c1-23-9-13-15-11(27-9)25-7-4-8(26-12-16-14-10(24-2)28-12)6(18(21)22)3-5(7)17(19)20/h3-4H,1-2H3 |
| InChIKey | JCXHVNKKIKYMEG-UHFFFAOYSA-N |
| Molecular Weight | 492.594 g/mol |
| SMILES | CSc1nnc(s1)Sc1cc(c(cc1N(=O)=O)N(=O)=O)Sc1nnc(s1)SC |
| SPLASH | splash10-01r6-9111100000-5c705e0778bbda4ac632 |
| Source of Spectrum | O-20-395-8 |
| Wiley ID | 217370 |