5-chloranyl-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one Openeye Name: 5-chloro-2-(1,1-dimethylhexyl)isothiazol-3-one CAS Name: 5-chloro-2-(2-methylheptan-2-yl)-3-isothiazolone IUPAC Name: 5-chloro-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(1,1-dimethylhexyl)-4-isothiazolin-3-one Formula: C11H18ClNOS MolecularWeight: 247.78472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)N1C(=O)C=C(S1)Cl

Isomeric SMILES

CCCCCC(C)(C)N1C(=O)C=C(S1)Cl

InChI

InChI=1S/C11H18ClNOS/c1-4-5-6-7-11(2,3)13-10(14)8-9(12)15-13/h8H,4-7H2,1-3H3