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Home> Hot Product Listed 1   > 1-{[(4-chlorobenzyl)oxy]methyl}-5-ethyl-6-(phenylsulfanyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
13538-60-8 structure

1-{[(4-chlorobenzyl)oxy]methyl}-5-ethyl-6-(phenylsulfanyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

CAS No.:13538-60-8
Molecular Weight:230.05862
Molecular Formula:C20H28N4O (isomer)
Names and Identifiers
Synonyms

1-(4-chloro-benzyloxymethyl)-5-ethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1h-pyrimidin-4-one 1-[(4-chlorobenzyloxy)methyl]-5-ethyl-6-(phenylthio)thiouracil 1-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one 1-clbzome-6phs-5et2thio u 4(1H)-pyrimidinone, 1-[[(4-chlorophenyl)methoxy]methyl]-5-ethyl-2,3-dihydro-6-(phenylthio)-2-thioxo- 5-ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil 5-ethyl-1-[(4-chlorobenzyloxy)methyl]-6-(phenylthio)-2-thiouracil AKOS030556166 bdbm50004147 CHEMBL336388 CTK4C0199 DTXSID80159722 HE156367

Inchi
InChI=1/C8H8BrNO2/c1-10-8(11)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
Canonical Smiles
CNC(=O)OC1=CC(=CC=C1)Br
Properties
Vapour
0.0056mmHg at 25°C
Refractive Index
1.555
Computational chemical data
  • Molecular Weight:230.05862g/mol
  • Molecular Formula:C20H28N4O
  • XLogP3-AA:2.2
  • Exact Mass:228.973841
  • Monoisotopic Mass:228.973841
  • Complexity:163
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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