N-(2,1,3-Benzothiadiazol-4-Yl)-5,6,7,8-Tetrahydro[1]Benzothieno[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C16H13N5S2
IUPAC Name n-(2,1,3-benzothiadiazol-4-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine
Molecular Mass 339.438 g·mol−1
Heat of Formation 503.7 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 367.63 Å 3
Surface Area 324.1 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzothieno(2,3-d)pyrimidin-4-amine, 5,6,7,8-tetrahydro-n-2,1,3-benzothiadiazol-4-yl-
  • 4-((benzo-2,1,3-thiadiazolyl-4)amino)-5,6,7,8-tetrahydrobenzothieno(2,3-d)pyrimidine
  • 5,6,7,8-tetrahydro-n-2,1,3-benzothiadiazol-4-yl-(1)benzothieno(2,3-d)pyrimidin-4-amine
  • ah-034/33702053
  • g-1697
  • n-(2,1,3-benzothiadiazol-7-yl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-amine
  • oprea1_756344
  • piazthiol-4-yl-(5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)amine
CAS Number(s)
  • 188550-08-5
InChIKey VDDSJNZVWWFJET-UHFFFAOYSA-N
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