| SpectraBase Spectrum ID |
XLTvaW37rb |
| Name |
3-(Methylsulphonyl)propyl isothiocyanate |
| Classification |
Sulfones |
| 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 |
179.007470880 u |
| Formula |
C5H9NO2S2 |
| InChI |
InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3 |
| InChIKey |
ZSJGCHNCYSHQEU-UHFFFAOYSA-N |
| Molecular Weight |
179.252 g/mol |
| Number of Peaks |
14 |
| SMILES |
C(N=C=S)CCS(=O)(C)=O |
| SPLASH |
splash10-0006-9100000000-bbd67d85b710ae2d89e4 |
| Source of Spectrum |
FF-18-150-150_13 (DOI: 10.1002/ffj.1163) |
| Synonyms |
1-Isothiocyanato-3-(methylsulfonyl)propane
1-Isothiocyanato-3-methylsulfonylpropane
1-Isothiocyanato-3-methylsulfonyl-propane |
| Wiley ID |
1775329 |
