2-(1-Piperidinylmethyl)-1,2-benzisothiazol-3(2H)-one

Base Information

• Chemical Name: 2-(1-Piperidinylmethyl)-1,2-benzisothiazol-3(2H)-one
• CAS No.: 84012-57-7
• Molecular Formula: C13H16 N2 O S
• Molecular Weight: 248.34394
• European Community (EC) Number: 281-698-6
• DSSTox Substance ID: DTXSID901004294
• Nikkaji Number: J332.953D
• Wikidata: Q82999222
• Mol file: 84012-57-7.mol

Synonyms:84012-57-7;2-(1-Piperidinylmethyl)-1,2-benzisothiazol-3(2H)-one;EINECS 281-698-6;SCHEMBL17948289;NCHWTFBQYUSMGV-UHFFFAOYSA-N;DTXSID901004294;NS00060000;2-[(Piperidin-1-yl)methyl]-1,2-benzothiazol-3(2H)-one

Chemical Property of 2-(1-Piperidinylmethyl)-1,2-benzisothiazol-3(2H)-one

Chemical Property:

• Vapor Pressure: 2.34E-06mmHg at 25°C
• Boiling Point: 392.1°C at 760 mmHg
• Flash Point: 191°C
• PSA: 53.48000
• Density: 1.262g/cm³
• LogP: 2.44430
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.09833431
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CN2C(=O)C3=CC=CC=C3S2