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4,5-Dichloro-3(2H)-isothiazolone
SpectraBase Compound ID 6or6MBs55ki
InChI InChI=1S/C3HCl2NOS/c4-1-2(5)8-6-3(1)7/h(H,6,7)
InChIKey CHOQQUKTKZBUOG-UHFFFAOYSA-N
Mol Weight 170.01 g/mol
Molecular Formula C3HCl2NOS
Exact Mass 168.91559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZpG4F9OqoV
Name 4,5-Dichloro-3(2H)-isothiazolone
CAS Registry Number 25658-72-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3HCl2NOS
InChI InChI=1S/C3HCl2NOS/c4-1-2(5)8-6-3(1)7/h(H,6,7)
InChIKey CHOQQUKTKZBUOG-UHFFFAOYSA-N
Molecular Weight 170.013 g/mol
SMILES N1SC(=C(C1=O)Cl)Cl
SPLASH splash10-002g-9200000000-88e6522a7240a67f8853
Source of Spectrum AD-0-2532-0
Synonyms 4,5-bis(chloranyl)-1,2-thiazol-3-one 4,5-Dichloro-1,2-thiazol-3-one 4,5-Dichloro-3-isothiazolone 4,5-Dichloro-4-isothiazolin-3-one 4,5-Dichloroisothiazol-3-one Isothiazol-3(2H)-one, 4,5-dichloro-
Wiley ID 1427016