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 |