Dothiepin sulfoxide

Base Information

• Chemical Name: Dothiepin sulfoxide
• CAS No.: 42046-35-5
• Molecular Formula: C19H21NOS
• Molecular Weight: 311.4
• European Community (EC) Number: 215-902-1,807-549-2
• UNII: 4L9S2WE89J
• Nikkaji Number: J298.631K
• Mol file: 42046-35-5.mol

Synonyms:dothiepin S-oxide;dothiepin S-oxide monosuccinate;dothiepin S-oxide, (E)-isomer;dothiepin sulfoxide

Chemical Property of Dothiepin sulfoxide

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 311.13438547
• Heavy Atom Count: 22
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

Dosulepin impurity A European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCC=C1C2=CC=CC=C2CS(=O)C3=CC=CC=C31
• Isomeric SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2CS(=O)C3=CC=CC=C31