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5-(tert-Butylsulfanyl)-2-thienyl thiocyanate
SpectraBase Compound ID L5TMkbSzQqU
InChI InChI=1S/C9H11NS3/c1-9(2,3)13-8-5-4-7(12-8)11-6-10/h4-5H,1-3H3
InChIKey MZDSEGDEENJFIK-UHFFFAOYSA-N
Mol Weight 229.37 g/mol
Molecular Formula C9H11NS3
Exact Mass 229.005363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B37hR7aLz8a
Name 5-(tert-Butylsulfanyl)-2-thienyl thiocyanate
Alternate Name(s) (5-tert-butylsulfanylthiophen-2-yl) thiocyanate Thiophene, 2-tert-butylthio-5-thiocyanato- thiocyanic acid [5-(tert-butylthio)-2-thiophenyl] ester (5-tert-butylsulfanyl-2-thienyl) thiocyanate
CAS Registry Number 16470-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NS3
InChI InChI=1S/C9H11NS3/c1-9(2,3)13-8-5-4-7(12-8)11-6-10/h4-5H,1-3H3
InChIKey MZDSEGDEENJFIK-UHFFFAOYSA-N
Molecular Weight 229.374 g/mol
SMILES c1c(sc(c1)SC(C)(C)C)SC#N
SPLASH splash10-0a4i-9300000000-c4a1f34b7e1e4b32e88d
Source of Spectrum AD-0-2532-0
Wiley ID 1429593