2-Methyl-4,5-Trimethylene-4-Isothiazolin-3-One
[CAS# 82633-79-2]

Identification

• Name: 2-Methyl-4,5-Trimethylene-4-Isothiazolin-3-One
• Synonyms: 2-Methyl-5,6-Dihydro-4H-Cyclopenta[D]Isothiazol-3-One; 2H-Cyclopent(D)Isothiazol-3(4H)-One, 5,6-Dihydro-2-Methyl-
• Molecular Formula: C₇H₉NOS
• Molecular Weight: 155.21
• CAS Registry Number: 82633-79-2
• SMILES: CN1SC2=C(C1=O)CCC2
• InChI: 1S/C7H9NOS/c1-8-7(9)5-3-2-4-6(5)10-8/h2-4H2,1H3
• InChIKey: PZOGAKOZVSTZSO-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 268.679°C at 760 mmHg (Cal.)
• Flash point: 116.293°C (Cal.)