| SpectraBase Spectrum ID |
FF7PYXNmF5l |
| Name |
4-(2'-Cyanoethylthio)-5-(4-methylbenzylthio)-1,3-dithiol-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13NOS4 |
| InChI |
InChI=1S/C14H13NOS4/c1-10-3-5-11(6-4-10)9-18-13-12(17-8-2-7-15)19-14(16)20-13/h3-6H,2,8-9H2,1H3 |
| InChIKey |
MUWHMCIUPFLBIC-UHFFFAOYSA-N |
| Molecular Weight |
339.504 g/mol |
| SMILES |
C=1(SC(SC1SCCC#N)=O)SCc1ccc(cc1)C |
| SPLASH |
splash10-0a4i-0900000000-3e4a68e800a496c5cdec |
| Source of Spectrum |
QF-8-4466-3 |
| Synonyms |
3-({5-[(4-methylbenzyl)sulfanyl]-2-oxo-1,3-dithiol-4-yl}sulfanyl)propanenitrile |
| Wiley ID |
1558050 |
