Benzenepropanamine, N-methyl-gamma-(2-(methylthio)phenoxy)-, (gammaR)-

Base Information

• Chemical Name: Benzenepropanamine, N-methyl-gamma-(2-(methylthio)phenoxy)-, (gammaR)-
• CAS No.: 163059-33-4
• Molecular Formula: C17H21 N O S
• UNII: H54SIT1958
• Wikidata: Q27279652
• Mol file: 163059-33-4.mol

Synonyms:(R)-thionisoxetine;(S)-thionisoxetine;3-ortho-thiomethylphenoxy-N-methyl-3-phenylpropylamine;LY 368975;LY-368975;LY368975;thionisoxetine

Chemical Property of Benzenepropanamine, N-methyl-gamma-(2-(methylthio)phenoxy)-, (gammaR)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 287.13438547
• Heavy Atom Count: 20
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2SC
• Isomeric SMILES: CNCC[C@@H](C1=CC=CC=C1)OC2=CC=CC=C2SC