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Formula C26H26N4O4S
IUPAC Name [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-benzoylsulfanyl-pent-3-enyl] benzoate
Molecular Mass 490.574 g·mol−1
Heat of Formation -362.5 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 576.3 Å 3
Surface Area 425.95 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(benzoylsulfanyl)pent-3-enyl] benzoate
  • [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-phenylcarbonylsulfanyl-pent-3-enyl] benzoate
  • [(z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(benzoylsulfanyl)pent-3-enyl] benzoate
  • bentiamine
  • benzenecarbothioic acid, s-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester
  • benzenecarbothioic acid, s-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester
  • benzoic acid [(z)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-[(oxo-phenylmethyl)thio]pent-3-enyl] ester
  • benzoic acid [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-(benzoylthio)pent-3-enyl] ester
  • benzoic acid, thio-, s-ester with n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
  • dibenzoyl thiamine
  • dibenzoylthiamine
  • n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide o,s-dibenzoate
  • o,s-bis(benzoyl)thiamine disulfide
  • o,s-dibenzoylthiamine
  • thiamine, o,s-dibenzoyl-, (6ci)
CAS Number(s)
  • 103032-39-9
  • 299-88-7
InChIKey AZJUFRDUYTYIHV-NKFKGCMQSA-N
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