3-Methyl-5-{[(4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Amino}[1,2]Thiazolo[5,4-D]Pyrimidine-4,6(2H,5H)-Dione

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Properties Simple | Detailed

Formula C13H10N4O3S
IUPAC Name 3-methyl-5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2h-isothiazolo[5,4-d]pyrimidine-4,6-dione
Molecular Mass 302.308 g·mol−1
Heat of Formation -17.3 ± 16.7 kJ·mol−1
Dipole Moment 16.16 ± 1.08 D
Volume 322.94 Å 3
Surface Area 297.53 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2h-isothiazolo[4,5-e]pyrimidine-4,6-dione
  • 5-((p-hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5h,7h)-dione
  • 5-(4'-hydroxybenzylidenoimino)-3-methylisothiazolo(5,4-d)pyrimidine-(7h)-4,6-dione
  • 5-[(4-keto-1-cyclohexa-2,5-dienylidene)methylamino]-3-methyl-2h-isothiazolo[4,5-e]pyrimidine-4,6-quinone
  • ip 10
  • ip-10
  • isothiazolo(5,4-d)pyrimidine-4,6(5h,7h)-dione, 5-(((4-hydroxyphenyl)methylene)amino)-3-methyl-
  • isothiazolo(5,4-d)pyrimidine-4,6(5h,7h)-dione, 5-((p-hydroxybenzylidene)amino)-3-methyl-
CAS Number(s)
  • 89367-92-0
InChIKey NCAGJAMDRAFFID-UHFFFAOYSA-N
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