| SpectraBase Spectrum ID |
JG7zsncijUe |
| Name |
4,5-Bis(benzoylthio)-1,2-dithiole-3-thione |
| CAS Registry Number |
82504-65-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.928435430 u |
| Formula |
C17H10O2S5 |
| InChI |
InChI=1S/C17H10O2S5/c18-14(11-7-3-1-4-8-11)21-13-16(20)23-24-17(13)22-15(19)12-9-5-2-6-10-12/h1-10H |
| InChIKey |
ACVFKHLFCLEUPR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
406.565 g/mol |
| Nominal Mass |
406 u |
| Quality |
966 |
| Retention Index |
2769 |
| SMILES |
C1(=C(SC(C2=CC=CC=C2)=O)SSC1=S)SC(C1=CC=CC=C1)=O |
| SPLASH |
splash10-0a4i-7900000000-b31a5263f81d4c03ebaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4,5-bis(benzoylthio)-1,2-dithiole-3-thione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034269 |
