2-(3,5,5-trimethylhexyl)-1,2-thiazol-3-one

Systemtic Name: 2-(3,5,5-trimethylhexyl)-1,2-thiazol-3-one Openeye Name: 2-(3,5,5-trimethylhexyl)isothiazol-3-one CAS Name: 2-(3,5,5-trimethylhexyl)-3-isothiazolone IUPAC Name: 2-(3,5,5-trimethylhexyl)-1,2-thiazol-3-one Traditional Name: 2-(3,5,5-trimethylhexyl)-4-isothiazolin-3-one Formula: C12H21NOS MolecularWeight: 227.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C=CS1)CC(C)(C)C

Isomeric SMILES

CC(CCN1C(=O)C=CS1)CC(C)(C)C

InChI

InChI=1S/C12H21NOS/c1-10(9-12(2,3)4)5-7-13-11(14)6-8-15-13/h6,8,10H,5,7,9H2,1-4H3