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1-(tert-Butylsulfanyl)-2-propyl-2H-isoindole

Base Information
  • Chemical Name:1-(tert-Butylsulfanyl)-2-propyl-2H-isoindole
  • CAS No.:64807-91-6
  • Molecular Formula:C15H21NS
  • Molecular Weight:247.404
  • Hs Code.:
  • DSSTox Substance ID:DTXSID40494242
  • Wikidata:Q82341442
1-(tert-Butylsulfanyl)-2-propyl-2H-isoindole

Synonyms:64807-91-6;1-(tert-Butylthio)-2-propyl-2H-isoindole;1-(tert-Butylsulfanyl)-2-propyl-2H-isoindole;SCHEMBL7898990;DTXSID40494242

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Chemical Property of 1-(tert-Butylsulfanyl)-2-propyl-2H-isoindole
Chemical Property:
  • Melting Point:58.3-59.0 °C(Solv: ligroine (8032-32-4)) 
  • Boiling Point:375.4±15.0 °C(Predicted) 
  • PSA:30.23000 
  • Density:1.01±0.1 g/cm3(Predicted) 
  • LogP:4.94190 
  • XLogP3:4.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:4
  • Exact Mass:247.13947085
  • Heavy Atom Count:17
  • Complexity:246
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCN1C=C2C=CC=CC2=C1SC(C)(C)C
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