Iodothiouracil

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Properties Simple | Detailed

Formula C4H3IN2OS++
IUPAC Name 5-iodo-2-thioxo-pyrimidin-4-one
Molecular Mass 254.049 g·mol−1
Heat of Formation 40.6 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 178.49 Å 3
Surface Area 178.04 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 4(1h)-pyrimidinone, 2,3-dihydro-5-iodo-2-thioxo-
  • 5-iodo-2-mercaptopyrimidin-4-ol
  • 5-iodo-2-sulfanylidene-1h-pyrimidin-4-one
  • 5-iodo-2-thiouracil
  • 5-iodo-2-thioxo-1h-pyrimidin-4-one
  • iodothiouracil [ban:inn]
  • iothiouracil
  • itrumil
  • jodthiouracilum
  • uracil, 5-iodo-2-thio-
InChIKey MYUHSNVSHMCUMD-UHFFFAOYSA-N
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