5-chloranyl-2-methyl-1,2-thiazol-3-one; 1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-methyl-1,2-thiazol-3-one; 1,2-thiazol-3-one Openeye Name: 5-chloro-2-methyl-isothiazol-3-one; isothiazol-3-one CAS Name: 5-chloro-2-methyl-3-isothiazolone; 3-isothiazolone IUPAC Name: 5-chloro-2-methyl-1,2-thiazol-3-one; 1,2-thiazol-3-one Traditional Name: 5-chloro-2-methyl-4-isothiazolin-3-one; 4-isothiazolin-3-one Formula: C7H7ClN2O2S2 MolecularWeight: 250.72568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(S1)Cl.C1=CSNC1=O

Isomeric SMILES

CN1C(=O)C=C(S1)Cl.C1=CSNC1=O

InChI

InChI=1S/C4H4ClNOS.C3H3NOS/c1-6-4(7)2-3(5)8-6;5-3-1-2-6-4-3/h2H,1H3;1-2H,(H,4,5)