| SpectraBase Spectrum ID |
BVaX4ogb10C |
| Name |
1,5-bis(2(3H)-Thioxo-3-methyl-1,3,4-thiadiazole-5-yl-thio)-2,4-dinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.893129802 u |
| Formula |
C12H8N6O4S6 |
| InChI |
InChI=1S/C12H8N6O4S6/c1-15-11(23)27-9(13-15)25-7-4-8(26-10-14-16(2)12(24)28-10)6(18(21)22)3-5(7)17(19)20/h3-4H,1-2H3 |
| InChIKey |
UTVNNYHGUMSYAK-UHFFFAOYSA-N |
| Molecular Weight |
492.594 g/mol |
| SMILES |
C1=C(C(=CC(=C1N(=O)=O)SC1=NN(C(=S)S1)C)SC=1SC(N(C)N1)=S)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947131 |
