2-Thioxo-2,4,8,9-Tetrahydro-7H-[1,3]Thiazino[2,3-I]Purin-5(1H)-One

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Properties Simple | Detailed

Formula C8H8N4OS2
IUPAC Name 2-thioxo-4,7,8,9-tetrahydro-1h-[1,3]thiazino[2,3-f]purin-5-one
Molecular Mass 240.305 g·mol−1
Heat of Formation 127.5 ± 16.7 kJ·mol−1
Dipole Moment 10.46 ± 1.08 D
Volume 248.86 Å 3
Surface Area 231.81 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,8,9-tetrahydro-2-thioxo-7h-(1,3)thiazino(2,3-i)purin-5-(1h)-one
  • 2-thioxo-4,7,8,9-tetrahydro-1h-[1,3]thiazino[2,3-f]purin-5-one
  • thpur
CAS Number(s)
  • 146404-36-6
InChIKey CKEWFMNZSAGZMS-UHFFFAOYSA-N
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