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1-Isothiocyanato-3-(methylthio)propane
SpectraBase Compound ID ICnuzbTSplS
InChI InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChIKey LDKSCZJUIURGMW-UHFFFAOYSA-N
Mol Weight 147.25 g/mol
Molecular Formula C5H9NS2
Exact Mass 147.017642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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