| SpectraBase Spectrum ID |
7xrP6ho7uWA |
| Name |
1-Isothiocyanato-4-(methylsulfinyl)butane |
| CAS Registry Number |
4478-93-7 |
| Classification |
Sulfoxides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
177.028206325 u |
| Formula |
C6H11NOS2 |
| InChI |
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| InChIKey |
SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| Molecular Weight |
177.280 g/mol |
| Number of Peaks |
18 |
| SMILES |
C(N=C=S)CCCS(=O)C |
| SPLASH |
splash10-074i-9100000000-d6fa935b281cc3922c51 |
| Source of Spectrum |
FF-18-150-150_14 (DOI: 10.1002/ffj.1163) |
| Synonyms |
4-Isothiocyanatobutyl methyl sulfoxide
4-(Methylsulphinyl) butyl isothiocyanate
Sulforaphane
1-Isothiocyanato-4-methylsulfinylbutane |
| Wiley ID |
1775330 |
