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Isothiazole, 3,5-bis(methylthio)-4-phenyl-
SpectraBase Compound ID JiaPFqIZzBj
InChI InChI=1S/C11H11NS3/c1-13-10-9(11(14-2)15-12-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey GXGMVTXQUKYDPF-UHFFFAOYSA-N
Mol Weight 253.4 g/mol
Molecular Formula C11H11NS3
Exact Mass 253.005363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E109pkxyCU2
Name Isothiazole, 3,5-bis(methylthio)-4-phenyl-
Alternate Name(s) 3,5-Bis(methylsulfanyl)-4-phenylisothiazole 3,5-bis(methylsulfanyl)-4-phenyl-1,2-thiazole 3,5-bis(methylthio)-4-phenyl-isothiazole 3,5-bis(methylthio)-4-phenylisothiazole
CAS Registry Number 35537-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NS3
InChI InChI=1S/C11H11NS3/c1-13-10-9(11(14-2)15-12-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey GXGMVTXQUKYDPF-UHFFFAOYSA-N
Molecular Weight 253.396 g/mol
SMILES CSc1c(-c2ccccc2)c(sn1)SC
SPLASH splash10-0zfr-2690000000-6e45549f3c7ba1c0d7c7
Source of Spectrum O-7-477-10
Wiley ID 1256582