2-Ethylisothiazol-3(2H)-one

Base Information

• Chemical Name: 2-Ethylisothiazol-3(2H)-one
• CAS No.: 2682-21-5
• Molecular Formula: C5H7NOS
• DSSTox Substance ID: DTXSID30436136
• Nikkaji Number: J621.898I
• Wikidata: Q82251356
• ChEMBL ID: CHEMBL490685
• Mol file: 2682-21-5.mol

Synonyms:2-Ethylisothiazol-3(2H)-one;2682-21-5;CHEMBL490685;2-ethyl-1,2-thiazol-3-one;SCHEMBL726482;SCHEMBL10522497;DTXSID30436136;BDBM50247846

Chemical Property of 2-Ethylisothiazol-3(2H)-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.02483502
• Heavy Atom Count: 8
• Complexity: 132

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)C=CS1