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2-Methyl-4-isothiazolin-3-one-[d3] hydrochloride

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General Information
Catalog: BLP-012939
CAS: 1329509-49-0
Molecular Formula: C4H3D3ClNOS
Molecular Weight: 154.63

Chemical Structure

Synonyms	2-Methyl-D3-isothiazolin-3-one hydrochloride; 2-Methyl-3(2H)-isothiazolone-d3 Hydrochloride Salt; 2-Methyl-4-isothiazolin-3-one-d3 Hydrochloride Salt; 2-Methyl-3-isothiazolone-d3 Hydrochloride
IUPAC Name	2-(trideuteriomethyl)-1,2-thiazol-3-one;hydrochloride
Related CAS	26172-54-3 (unlabelled) 2682-20-4 (unlabelled free base) 1329745-67-6 (free base)
Isomeric SMILES	[2H]C([2H])([2H])N1C(=O)C=CS1.Cl
Canonical SMILES	CN1C(=O)C=CS1.Cl
InChI	InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H/i1D3;
InChI Key	SJXPQSRCFCPWQQ-NIIDSAIPSA-N
Melting Point	>126°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White to Beige Solid
Storage	Store at 2-8°C under inert atmosphere