Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
2-n-Octyl-4-isothiazolin-3-one	26530-20-1	33528

Structure

Other Information

Canonical SMILES	CCCCCCCCN1C(=O)C=CS1
Iso SMILES	CCCCCCCCN1C(=O)C=CS1
InChI	InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
InChI Key	JPMIIZHYYWMHDT-UHFFFAOYSA-N
Formula	C11H19NOS
Mol Weight	213.34
XlogP3	3.5
Charge	0

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Synonyms Information

CAS Name	2-octyl-3-isothiazolone
IUPAC Name	2-octylisothiazol-3-one
Openeye Name	2-octyl-1,2-thiazol-3-one
Systematic Name	2-octyl-1,2-thiazol-3-one
Tratitional Name	2-octyl-1,2-thiazol-3-one