| SpectraBase Compound ID | 4rAiITZiVqz |
|---|---|
| InChI | InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3 |
| InChIKey | BDBFZCOZJOTIFS-UHFFFAOYSA-N |
| Mol Weight | 202.31 g/mol |
| Molecular Formula | C6H6N2S3 |
| Exact Mass | 201.969312 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7dSVkqvBIpx |
|---|---|
| Name | 4-Isothiazolecarbonitrile, 3,5-bis(methylthio)- |
| CAS Registry Number | 4886-13-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6N2S3 |
| InChI | InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3 |
| InChIKey | BDBFZCOZJOTIFS-UHFFFAOYSA-N |
| Molecular Weight | 202.308 g/mol |
| SMILES | c1(c(snc1SC)SC)C#N |
| SPLASH | splash10-0k92-8930000000-e143a5f38b835b879c52 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 3,5-Bis(methylsulfanyl)-4-isothiazolecarbonitrile 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile 3,5-bis(methylsulfanyl)isothiazole-4-carbonitrile 3,5-bis(methylthio)-4-isothiazolecarbonitrile 3,5-bis(methylthio)isothiazole-4-carbonitrile 3,5-Bis(methylthio)isothiazole-4-carbonitrile, tech. 3,5-Di(methylthio)isothiazole-4-carbonitrile Isothiazole-4-carbonitrile, 3,5-bis(methylthio)- |
| Wiley ID | 1419312 |