[3-({[2'-(2-Acetamidoethyl)-2,4'-Bi-1,3-Thiazol-4-Yl]Carbonyl}Amino)Propyl](Dimethyl)Sulfonium

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Properties Simple | Detailed

Formula C16H23N4O2S3+
IUPAC Name 3-[[2-[2-(2-acetamidoethyl)thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium
Molecular Mass 399.574 g·mol−1
Heat of Formation 2374.6 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 345.58 Å 3
Surface Area 309.62 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -3.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium
  • 3-[[2-[2-(2-acetamidoethyl)thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium
  • 3-[[[2-[2-(2-acetamidoethyl)-4-thiazolyl]-4-thiazolyl]-oxomethyl]amino]propyl-dimethylsulfonium
  • acetyldipeptide a2
  • sulfonium, (3-(((2'-(2-(acetylamino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethyl-
InChIKey IGEBMSKHTDMMOM-UHFFFAOYSA-O
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