5-chloranyl-2-(4-oxidanylidenepentan-2-yl)-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-(4-oxidanylidenepentan-2-yl)-1,2-thiazol-3-one Openeye Name: 5-chloro-2-(1-methyl-3-oxo-butyl)isothiazol-3-one CAS Name: 5-chloro-2-(4-oxopentan-2-yl)-3-isothiazolone IUPAC Name: 5-chloro-2-(4-oxopentan-2-yl)-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(3-keto-1-methyl-butyl)-4-isothiazolin-3-one Formula: C8H10ClNO2S MolecularWeight: 219.6885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClNO2S/c1-5(3-6(2)11)10-8(12)4-7(9)13-10/h4-5H,3H2,1-2H3