silver(1+) ion 2-(4-aminobenzenesulfonamido)-1,2-dihydropyrimidin-1-ide

• ChemBase ID: 177968
• Molecular Formular: C10H9AgN4O2S
• Molecular Mass: 357.13726
• Monoisotopic Mass: 355.94971855
• SMILES: c1ccn/c(=N\S(=O)(=O)c2ccc(cc2)N)/[n-]1.[Ag+]
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)/N=c\1/[n-]cccn1.[Ag+]
• InChI: InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
• InChIKey: UEJSSZHHYBHCEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion 2-(4-aminobenzenesulfonamido)-1,2-dihydropyrimidin-1-ide
• IUPAC Traditional name: silver(1+) ion 2-(4-aminobenzenesulfonamido)-1H-pyrimidin-1-ide
• Synonyms: [4-Amino-N-(2-pyrimidinyl-kN1)benzenesulfonamidato-kO]silver; 4-Amino-N-2-pyrimidinylbenzenesulfonamide Silver Complex; Dermazin; Flamazine; Flammazine; Silvadene; Silver Sulfadiazine; Sulfadiazine Silver; Sulfadiazine Silver Salt

Database IDs

• CAS Number: 22199-08-2
• PubChem SID: 164233878
• PubChem CID: 441244

CALCULATED PROPERTIES

• Acid pKa: 11.388529
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.13981697
• LogD (pH = 7.4): -0.13928829
• Log P: -0.13920099
• Molar Refractivity: 64.5522 cm^3
• Polarizability: 24.348839 Å^3
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Hot DMSO
• Apperance: Off-White Solid
• Melting Point: 282-284°C (dec.)

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - S699050

Coordination compound. Antibacterial.

REFERENCES

• Bohni, et al.: Chemotherapy, 14, 195 (1969)
• Carr, et al.: Antimicrob. Agents Chemother., 4, 585 (1969)
• Stober, H., et al.: Anal. Profiles Drug Subs., 11, 523 (1969)