N,N'-{Disulfanediylbis[(2E)-5-Hydroxy-2-Pentene-3,2-Diyl]}Bis{N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]Formamide}

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Properties Simple | Detailed

Formula C24H34N8O4S2
IUPAC Name (e)-4-[formyl-[(6-λ1-azanyl-2-methyl-4h-pyrimidin-1-ium-4-ylium-5-yl)methyl]amino]-3-[[(e)-2-[(6-λ1-azanyl-2-methyl-4h-pyrimidin-1-ium-4-ylium-5-yl)methyl-(oxomethyl)amino]-1-(2-oxidoethyl)prop-1-enyl]disulfanyl]pent-3-en-1-olate
Molecular Mass 562.708 g·mol−1
Heat of Formation -518.1 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 655.05 Å 3
Surface Area 447.11 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • algoneurina
  • allynate f
  • d03299
  • daiomin
  • formamide, n,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl))bis(n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-
  • n,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl)bis(n-(4-amino-2-methyl-5-pyrimidinyl)methyl))formamide
  • n,n'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(n-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide)
  • n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-[(e)-2-[(e)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methylbut-1-enyl]formamide
  • n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-[2-[2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methylbut-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(e)-2-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methyl-but-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(e)-3-[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-hydroxy-pent-2-en-3-yl]disulfanyl-5-hydroxy-pent-2-en-2-yl]methanamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[2-[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl-4-hydroxy-1-methyl-but-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[3-[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-hydroxy-pent-2-en-3-yl]disulfanyl-5-hydroxy-pent-2-en-2-yl]methanamide
  • n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(e)-3-[(e)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl-5-hydroxypent-2-en-2-yl]formamide
  • n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[3-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl-5-hydroxypent-2-en-2-yl]formamide
  • thiamine disulfide
  • thiamine disulfide (jan)
CAS Number(s)
  • 67-16-3
InChIKey GFEGEDUIIYDMOX-YHARCJFQSA-N
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