3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-[2-(2-Bromoacetoxy)Ethyl]-4-Methyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C14H21BrN4O2S
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-bromoacetate
Molecular Mass 389.311 g·mol−1
Heat of Formation -178.5 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 391.46 Å 3
Surface Area 318.27 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-bromoethanoate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-bromoacetate
  • 2-bromoacetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester
  • 2-bromoacetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester
  • bracthiamine
  • o-bromoacetylthiamine
  • thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-((bromoacetyl)oxy)ethyl)-4-methyl-
CAS Number(s)
  • 117826-71-8
InChIKey DGCOUKMXDGTATP-UHFFFAOYSA-N
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