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1-Butanethiol, 4-(methylthio)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1-Butanethiol, 4-(methylthio)-
SpectraBase Compound ID 4rMfqUPOroZ
InChI InChI=1S/C5H12S2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey VLSYQLPMYBNHCJ-UHFFFAOYSA-N
Mol Weight 136.27 g/mol
Molecular Formula C5H12S2
Exact Mass 136.038043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9tmmPWXpsC
Name 4-(Methylsulfanyl)-1-butanethiol
CAS Registry Number 66890-94-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H12S2
InChI InChI=1S/C5H12S2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey VLSYQLPMYBNHCJ-UHFFFAOYSA-N
Molecular Weight 136.271 g/mol
SMILES SCCCCSC
SPLASH splash10-03di-9100000000-a036a7cf594f07a11e18
Synonyms 1-Butanethiol, 4-(methylthio)- 4-(methylthio)-1-butanethiol 4-(methylthio)butane-1-thiol 4-Methylsulfanylbutane-1-thiol
Wiley ID 1485287