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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 AzXQ8F3Qoue
Name 1-Isothiocyanato-3-(methylthio)propane
Alternate Name(s) 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
CAS Registry Number 505-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES C(N=C=S)CCSC
SPLASH splash10-0ugm-9200000000-7bdc9234181df95f9a3d
Source of Spectrum EK-1999-782-0
Wiley ID 1144713