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S-(beta-p-Methoxypropiophenone)thiamine

Base Information
  • Chemical Name:S-(beta-p-Methoxypropiophenone)thiamine
  • CAS No.:42207-95-4
  • Molecular Formula:C22H29ClN4O4S
  • Molecular Weight:481.0081
  • Hs Code.:
S-(beta-p-Methoxypropiophenone)thiamine

Synonyms:MB 2;MB-2;S-(beta-p-methoxypropiophenone)thiamine

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Chemical Property of S-(beta-p-Methoxypropiophenone)thiamine
Chemical Property:
  • Vapor Pressure:2.02E-22mmHg at 25°C 
  • Boiling Point:730.8°Cat760mmHg 
  • Flash Point:395.8°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:11
  • Exact Mass:480.1598043
  • Heavy Atom Count:32
  • Complexity:610
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCCC(=O)C2=CC=C(C=C2)OC)C.Cl
  • Isomeric SMILES:CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\SCCC(=O)C2=CC=C(C=C2)OC)/C.Cl
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