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1-Isothiocyanato-3-(methylthio)propane

View entire compound with spectra: 2 FTIR, and 5 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CEHzjaH5YXj
Name 3-(Methylthio)propyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W331201
Lot Number 01407HE
CAS Registry Number 505-79-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Between salts
Wiley ID SIAL_FF-FTIR_001605