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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, propyl ester
SpectraBase Compound ID B2lgZIcf72t
InChI InChI=1S/C9H13NO2S3/c1-4-5-12-8(11)6-7(13-2)10-15-9(6)14-3/h4-5H2,1-3H3
InChIKey VUCDIMQRAAABOE-UHFFFAOYSA-N
Mol Weight 263.39 g/mol
Molecular Formula C9H13NO2S3
Exact Mass 263.010842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eOPcbO1xq8
Name 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, propyl ester
CAS Registry Number 37572-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2S3
InChI InChI=1S/C9H13NO2S3/c1-4-5-12-8(11)6-7(13-2)10-15-9(6)14-3/h4-5H2,1-3H3
InChIKey VUCDIMQRAAABOE-UHFFFAOYSA-N
Molecular Weight 263.388 g/mol
SMILES CCCOC(c1c(nsc1SC)SC)=O
SPLASH splash10-0w29-3390000000-6368ad6842696fd5f3ef
Source of Spectrum O-7-476-4
Synonyms Propyl 3,5-bis(methylsulfanyl)-4-isothiazolecarboxylate 3,5-bis(methylthio)-4-isothiazolecarboxylic acid propyl ester 3,5-bis(methylthio)isothiazole-4-carboxylic acid propyl ester Propyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate Propyl 3,5-bis(methylsulfanyl)isothiazole-4-carboxylate
Wiley ID 1266635