N-[(2Z)-5-Hydroxy-3-(Pentyldisulfanyl)-2-Penten-2-Yl]-N-[(2-Methyl-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Methyl]Formamide

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Properties Simple | Detailed

Formula C17H27N3O3S2
IUPAC Name n-[(z)-4-hydroxy-1-methyl-2-(pentyldisulfanyl)but-1-enyl]-n-[(2-methyl-6-oxo-1h-pyrimidin-3-ium-5-id-5-yl)methyl]formamide
Molecular Mass 385.545 g·mol−1
Heat of Formation -499.5 ± 16.7 kJ·mol−1
Dipole Moment 11.76 ± 1.08 D
Volume 480.67 Å 3
Surface Area 369.03 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • formamide, n-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-n-(4-hydroxy-1-methyl-2-(pentyldithio)-1-butenyl-
  • n-[(z)-2-amyldisulfanyl-4-hydroxy-1-methyl-but-1-enyl]-n-[(4-keto-2-methyl-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-4-hydroxy-1-methyl-2-pentyldisulfanyl-but-1-enyl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-4-hydroxy-1-methyl-2-pentyldisulfanylbut-1-enyl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]formamide
  • n-[(z)-5-hydroxy-3-pentyldisulfanyl-pent-2-en-2-yl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]methanamide
  • n-[(z)-5-hydroxy-3-pentyldisulfanylpent-2-en-2-yl]-n-[(2-methyl-4-oxo-3h-pyrimidin-5-yl)methyl]formamide
  • oxythiamine amyl disulfide
CAS Number(s)
  • 84714-57-8
InChIKey VZQKQFJEQRWLDJ-SSZFMOIBSA-N
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