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2-Methyl-1-propanethiol
SpectraBase Compound ID DUZuIPBcYAQ
InChI InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey BDFAOUQQXJIZDG-UHFFFAOYSA-N
Mol Weight 90.18 g/mol
Molecular Formula C4H10S
Exact Mass 90.050321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GU9wYQUzsl
Name 1-Propanethiol, 2-methyl-
Alternate Name(s) 1-Isobutanethiol 2-Methyl-1-propanethiol 2-Methylpropane-1-thiol iso-C4H9SH Isobutanethiol Isobutyl mercaptan BRN 1730890 EINECS 208-162-6
CAS Registry Number 513-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H10S
InChI InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey BDFAOUQQXJIZDG-UHFFFAOYSA-N
Molecular Weight 90.184 g/mol
SMILES SCC(C)C
SPLASH splash10-0007-9000000000-f98beb8268633fa00359
Source of Spectrum JZ-1992-409-0
Wiley ID 1117490