| SpectraBase Spectrum ID |
13WQHMwZlY |
| Name |
1-Isothiocyanato-4-(methylsulfinyl)butane |
| Alternate Name(s) |
4-Isothiocyanatobutyl methyl sulfoxide
4-(Methylsulphinyl) butyl isothiocyanate
Sulforaphane
1-Isothiocyanato-4-methylsulfinylbutane |
| CAS Registry Number |
4478-93-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H11NOS2 |
| InChI |
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| InChIKey |
SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/ffj.1163 |
| Molecular Weight |
177.280 g/mol |
| SMILES |
C(N=C=S)CCCS(=O)C |
| SPLASH |
splash10-074i-9100000000-d6fa935b281cc3922c51 |
| Source of Spectrum |
FF-18-150-150_14 |
| Wiley ID |
1775330 |
