| SpectraBase Spectrum ID |
6CpiknMd1ki |
| Name |
Allyl thioisocyanate |
| Source of Sample |
Sigma-Aldrich Cat. #36682 |
| CAS Registry Number |
57-06-7 |
| Classification |
Pesticides: Insecticides, Repellents |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB254528 |
| 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 |
99.014270339 u |
| Formula |
C4H5NS |
| InChI |
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey |
ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Molecular Weight |
99.151 g/mol |
| Number of Peaks |
42 |
| RI1 |
879 |
| SMILES |
C=CCN=C=S |
| SPLASH |
splash10-0005-9000000000-b5339c6925fc2379ba6d |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1-Propene, 3-isothiocyanato- |
| Wiley ID |
LM_PEST_863 |
