4-(Cyclooctylamino)-N-(Ethylcarbamothioyl)-3-Pyridinesulfonamide

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Properties Simple | Detailed

Formula C16H26N4O2S2
IUPAC Name 1-[[4-(cyclooctylamino)-3-pyridyl]sulfonyl]-3-ethyl-thiourea
Molecular Mass 370.533 g·mol−1
Heat of Formation -316.9 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 439.01 Å 3
Surface Area 353.1 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(cyclooctylamino)pyridin-3-yl]sulfonyl-3-ethyl-thiourea
  • 1-[4-(cyclooctylamino)pyridin-3-yl]sulfonyl-3-ethylthiourea
  • 1-[[4-(cyclooctylamino)-3-pyridyl]sulfonyl]-3-ethylthiourea
  • 3-pyridinesulfonamide, 4-(cyclooctylamino)-n-((ethylamino)thioxomethyl)-
  • 4-(cyclooctylamino)-n-((ethylamino)thioxomethyl)-3-pyridinesulfonamide
  • bm 20
  • bm-20
CAS Number(s)
  • 137783-17-6
InChIKey HACAXCYSHKSNPR-UHFFFAOYSA-N
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