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1-Isothiocyanato-4-(methylthio)butane
SpectraBase Compound ID 351E19A66hY
InChI InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChIKey IHQDGXUYTSZGOG-UHFFFAOYSA-N
Mol Weight 161.28 g/mol
Molecular Formula C6H11NS2
Exact Mass 161.033292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qt4P8MUOSc
Name 1-Isothiocyanato-4-(methylthio)butane
CAS Registry Number 4430-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NS2
InChI InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChIKey IHQDGXUYTSZGOG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1163
Molecular Weight 161.281 g/mol
SMILES C(CCCSC)N=C=S
SPLASH splash10-03xr-9300000000-058bd2e0bf3d32dd9a3b
Source of Spectrum FF-18-150-150_10
Synonyms 4-(Methylthio)butyl isothiocyanate 1-Isothiocyanato-4-(methylsulfanyl)butane 1-Isothiocyanato-4-methylsulfanylbutane Butane, 1-isothiocyanato-4-(methylthio)- Isothiocyanic acid, 4-(methylthio)butyl ester (4-Isothiocyanatobutyl)(methyl)sulfane 1-Isothiocyanato-4-methylsulfanyl-butane
Wiley ID 1775327