2-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid | CAS No. 73909-20-3

2-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid

Basic Information

CAS Number

73909-20-3

Molecular Formula

C12H8N2O4S

Molecular Weight

276.27 g/mol

AD

Basic Physical Properties

C1=CC=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O

InChI

InChI=1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-3-1-2-4-7(6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)

InChIKey

WHZCXTOAZVYXJV-UHFFFAOYSA-N

LogP

0.2991

Topological Polar Surface Area

95.50000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

464

Synonyms & References

English

  • MLS002695026
  • Benzoic acid,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-
  • DTXSID80224500
  • HMS3089P10
  • NSC90754
  • 5-25-08-00439 (Beilstein Handbook Reference)
  • NSC 90754
  • NCIOpen2_006369
  • AKOS024352732
  • SMR001560939
  • NSC-90754
  • o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
  • CHEMBL1731851
  • BRN 0923592
  • Benzoic acid, 2-((tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)-
  • o-Toluic acid,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
  • 73909-20-3
  • o-Toluic acid, .alpha.-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
  • 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic Acid
  • 2-[(Hexahydro-4,6-dioxo-2-thioxopyrimidin-5-ylidene)methyl]benzoic acid
  • 2-(4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid
  • AC1MHXOA

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