Thionisoxetine

Base Information

• Chemical Name: Thionisoxetine
• CAS No.: 155273-01-1
• Deprecated CAS: 162938-15-0
• Molecular Formula: C17H23NOS
• Molecular Weight: 289.441
• UNII: 25Z4P2982K
• DSSTox Substance ID: DTXSID90935175
• Nikkaji Number: J1.768.473F
• Wikidata: Q27254014
• Mol file: 155273-01-1.mol

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

Chemical Property of Thionisoxetine

Chemical Property:

• Vapor Pressure: 9.56E-08mmHg at 25°C
• Boiling Point: 434.3°C at 760 mmHg
• Flash Point: 216.5°C
• PSA: 46.56000
• Density: 1.1g/cm³
• LogP: 4.52900
• 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:

99% ^*data from raw suppliers

(R)-N-METHYL-3-[2-(METHYLSULFANYL)PHENOXY]-3-PHENYLPROPYLAMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2SC