Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
5-Chloro-2-methyl-4-isothiazolin-3-one	26172-55-4	33344

Structure

Other Information

Canonical SMILES	CN1C(=O)C=C(S1)Cl
Iso SMILES	CN1C(=O)C=C(S1)Cl
InChI	InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChI Key	DHNRXBZYEKSXIM-UHFFFAOYSA-N
Formula	C4H4ClNOS
Mol Weight	149.599
XlogP3	0.9
Charge	0

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Synonyms Information

CAS Name	5-chloro-2-methyl-3-isothiazolone
IUPAC Name	5-chloro-2-methyl-isothiazol-3-one
Openeye Name	5-chloro-2-methyl-1,2-thiazol-3-one
Systematic Name	5-chloranyl-2-methyl-1,2-thiazol-3-one
Tratitional Name	5-chloranyl-2-methyl-1,2-thiazol-3-one