Phthalylsulfamethizole

Base Information

• Chemical Name: Phthalylsulfamethizole
• CAS No.: 485-24-5
• Molecular Formula: C17H14 N4 O5 S2
• Molecular Weight: 418.45
• UNII: TAY5ZBM0MO
• DSSTox Substance ID: DTXSID20197542
• Wikidata: Q27289873
• NCI Thesaurus Code: C76973
• ChEMBL ID: CHEMBL2106914
• Mol file: 485-24-5.mol

Synonyms:Phthalylsulfamethizole;485-24-5;Phthalylsulfamethizole [INN:DCF];TAY5ZBM0MO;UNII-TAY5ZBM0MO;2-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid;4'-((5-Methyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phthalanilic acid;PHTHALYLSULFAMETHIZOL;SCHEMBL2734629;CHEMBL2106914;DTXSID20197542;C17H14N4O5S2;PHTHALYLSULFAMETHIZOLE [INN];C17-H14-N4-O5-S2;Q27289873;Phthalanilic acid, 4'-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-;Benzoic acid, 2-[[[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl]phenyl]amino]carbonyl]-

Chemical Property of Phthalylsulfamethizole

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 174.97000
• Density: 1.596g/cm³
• LogP: 3.82460
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 418.04056191
• Heavy Atom Count: 28
• Complexity: 676

Purity/Quality:

PHTHALYL SULFAMETHIZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O