sodium acetyl(4-aminobenzenesulfonyl)azanide hydrate

• ChemBase ID: 107060
• Molecular Formular: C8H11N2NaO4S
• Molecular Mass: 254.23871
• Monoisotopic Mass: 254.03372212
• SMILES: O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1
• Canonical SMILES: CC(=O)[N-]S(=O)(=O)c1ccc(cc1)N.O.[Na+]
• InChI: InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1
• InChIKey: IHCDKJZZFOUARO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium acetyl(4-aminobenzenesulfonyl)azanide hydrate
• IUPAC Traditional name: potassium acetyl(4-aminobenzenesulfonyl)azanide hydrate; sodium sulfacetamide(1-) hydrate
• Synonyms: SODIUM SULFACETAMIDE; N-(4-Aminobenzenesulfonyl)acetamide sodium salt; Sulfacetamide sodium salt hydrate; 磺胺醋酰钠

Database IDs

• CAS Number: 6209-17-2
• EC Number: 204-848-4
• MDL Number: MFCD00007885
• PubChem SID: 162093154
• PubChem CID: 6419954

CALCULATED PROPERTIES

• Acid pKa: 4.2999835
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0395306
• LogD (pH = 7.4): -1.2013199
• Log P: -0.26104107
• Molar Refractivity: 51.6822 cm^3
• Polarizability: 20.292078 Å^3
• Polar Surface Area: 86.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AC8480000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05202398

MP Biomedicals Rare Chemical collection