2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one

Base Information

• Chemical Name: 2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one
• CAS No.: 84012-58-8
• Molecular Formula: C12H16 N2 O S
• Molecular Weight: 236.33324
• European Community (EC) Number: 281-699-1
• DSSTox Substance ID: DTXSID601004295
• Nikkaji Number: J332.954B
• Wikidata: Q82999224
• Mol file: 84012-58-8.mol

Synonyms:84012-58-8;2-[(DIETHYLAMINO)METHYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE;EINECS 281-699-1;2-((Diethylamino)methyl)-1,2-benzisothiazol-3(2H)-one;AHUSTNSWINPTNT-UHFFFAOYSA-N;DTXSID601004295;NS00060001;2-[(Diethylamino)methyl]-1,2-benzothiazol-3(2H)-one

Chemical Property of 2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one

Chemical Property:

• Vapor Pressure: 3.37E-05mmHg at 25°C
• Boiling Point: 354.4°C at 760 mmHg
• Flash Point: 168.1°C
• PSA: 53.48000
• Density: 1.182g/cm³
• LogP: 2.36230
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.09833431
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CN1C(=O)C2=CC=CC=C2S1