S-(2-{[3-Oxo-3-(1,3-Thiazol-2-Ylamino)Propyl]Amino}Ethyl) Hydrogen Sulfurothioate

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Properties Simple | Detailed

Formula C8H13N3O4S3
IUPAC Name 2-[3-(2-sulfosulfanylethylamino)propanoylamino]thiazole
Molecular Mass 311.402 g·mol−1
Heat of Formation -485.0 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 331.7 Å 3
Surface Area 315.9 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[2-(sulfothio)ethylamino]propanoylamino]thiazole
  • 2-[[1-oxo-3-[2-(sulfothio)ethylamino]propyl]amino]thiazole
  • s-2-((2-thiazolylcarbamoyl)ethyl)aminoethyl hydrogen thiosulfate
  • thiosulfuric acid (h2s2o3), s-(2-((3-oxo-3-(2-thiazolylamino)propyl)amino)ethyl) ester
CAS Number(s)
  • 26865-75-8
InChIKey IQVBFYUOUDQRES-UHFFFAOYSA-N
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