Trans-Acetiamine

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Properties Simple | Detailed

Formula C16H22N4O4S
IUPAC Name [(e)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
Molecular Mass 366.435 g·mol−1
Heat of Formation -638.7 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 435.2 Å 3
Surface Area 337.26 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • [(e)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
  • [(e)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
  • [(e)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate
  • [3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
  • [3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
  • [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate
  • acetiamine
  • acetic acid [(e)-3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester
  • acetic acid [(e)-3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester
  • acetic acid [3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester
  • acetic acid [3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester
  • acetic acid, thio-, s-ester with n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester)
  • diacethiamine
  • diacetylthiamine
  • ethanethioic acid, s-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propenyl] ester
  • o,s-diacetylthiamine
  • thiamine, o,s-diacetyl-
CAS Number(s)
  • 299-89-8
InChIKey ISIPQAHMLLFSFR-XNTDXEJSSA-N
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