Isothiazolone

Base Information

• Chemical Name: Isothiazolone
• CAS No.: 140651-38-3
• Molecular Formula: C3H3NOS
• Molecular Weight: 101.12700
• DSSTox Substance ID: DTXSID40577741
• Mol file: 140651-38-3.mol

Synonyms:isothiazolone;140651-38-3;1,2-thiazole 1-oxide;Isothiazole 1-oxide;SCHEMBL21754;DTXSID40577741;JLHMJWHSBYZWJJ-UHFFFAOYSA-N;1H-1lambda~4~,2-Thiazol-1-one

Chemical Property of Isothiazolone

Chemical Property:

• PSA: 51.66000
• LogP: 1.02430
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 100.99353489
• Heavy Atom Count: 6
• Complexity: 127

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CS(=O)N=C1