| SpectraBase Spectrum ID |
19SalrQV1NA |
| Name |
1-Isothiocyanato-3-(methylthio)propane |
| CAS Registry Number |
505-79-3 |
| Classification |
Isothiocyanates |
| 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 |
147.017641642 u |
| Formula |
C5H9NS2 |
| InChI |
InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3 |
| InChIKey |
LDKSCZJUIURGMW-UHFFFAOYSA-N |
| Molecular Weight |
147.254 g/mol |
| Number of Peaks |
13 |
| SMILES |
C(CCSC)N=C=S |
| SPLASH |
splash10-0ukd-9400000000-df66fa57ed977c5e699a |
| Source of Spectrum |
FF-18-150-150_6 (DOI: 10.1002/ffj.1163) |
| Synonyms |
3-(Methylthio)propyl isothiocyanate
3-(Methylthio) propyl isothiocyanate
1-Isothiocyanato-3-methylsulfanyl-propane
Propane, 1-isothiocyanato-3-(methylthio)-
3-Methylthiopropyl isothiocyanate
1-Isothiocyanato-3-(methylsulfanyl)propane
Isothiocyanic acid, 3-(methylthio)propyl ester
(3-Isothiocyanatopropyl)(methyl)sulfane
1-Isothiocyanato-3-methylsulfanylpropane |
| Wiley ID |
1775334 |
