| SpectraBase Compound ID | 3w7VkYIBCGY |
|---|---|
| InChI | InChI=1S/C6H6N2S2/c7-5-9-3-1-2-4-10-6-8/h1-2H,3-4H2/b2-1+ |
| InChIKey | SNXCTEZCRLCWSX-OWOJBTEDSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C6H6N2S2 |
| Exact Mass | 169.997241 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H5AaXJhY6VS |
|---|---|
| Name | (2E)-4-(cyanosulfanyl)-2-butenyl thiocyanate |
| CAS Registry Number | 5263-52-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6N2S2 |
| InChI | InChI=1S/C6H6N2S2/c7-5-9-3-1-2-4-10-6-8/h1-2H,3-4H2/b2-1+ |
| InChIKey | SNXCTEZCRLCWSX-OWOJBTEDSA-N |
| Molecular Weight | 170.248 g/mol |
| SMILES | C(#N)SC\C=C\CSC#N |
| SPLASH | splash10-01t9-9600000000-0997e9e4a1061d88fef1 |
| Source of Spectrum | KC-1987-2732-1 |
| Synonyms | Thiocyanic acid, 2-butene-1,4-diyl ester Thiocyanic acid, 2-butene-1,4-diyl ester, (E)- (E)-2-Buten-1,4-diyl-dithiocyanate 1,4-Dithiocyanato-2-butene 1,4-Dithiocyanatobut-2-ene Thiocyanic acid, 2-butenylene ester 1,4-Dithiocyanobutene-2 2-Butene, 1,4-dithiocyanato- [(E)-4-thiocyanatobut-2-enyl] thiocyanate |
| Wiley ID | 1166115 |