Tixanox

Base Information

• Chemical Name: Tixanox
• CAS No.: 40691-50-7
• Molecular Formula: C15H10 O5 S
• Molecular Weight: 302.3
• Hs Code.: 2932999099
• UNII: KQT9O2462E
• DSSTox Substance ID: DTXSID00866007
• Nikkaji Number: J16.866A
• Wikidata: Q27282384
• NCI Thesaurus Code: C73060
• ChEMBL ID: CHEMBL23771
• Mol file: 40691-50-7.mol

Synonyms:TIXANOX;40691-50-7;Tixanoxum;RS-7337;7-methylsulfinyl-9-oxoxanthene-2-carboxylic acid;Tixanox [USAN:INN];Tixanoxum [INN-Latin];UNII-KQT9O2462E;KQT9O2462E;7-(Methylsulfinyl)-9-oxoxanthene-2-carboxylic acid;RS 7337;9H-Xanthene-2-carboxylic acid, 7-(methylsulfinyl)-9-oxo-;7-Methylsulfinyl-9-oxo-2-xanthencarbonsaeure;Tixanox (USAN/INN);TIXANOX [USAN];TIXANOX [INN];CHEMBL23771;SCHEMBL635184;C15H10O5S;DTXSID00866007;C15-H10-O5-S;D06170;Q27282384;7-(Methylsulfinyl)-9-oxo-9H-xanthene-2-carboxylic acid;7-(Methanesulfinyl)-9-oxo-9H-xanthene-2-carboxylic acid

Chemical Property of Tixanox

Chemical Property:

• Vapor Pressure: 3.74E-16mmHg at 25°C
• Melting Point: >300 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• Boiling Point: 618.4°Cat760mmHg
• PKA: 3.76±0.20(Predicted)
• Flash Point: 327.8°C
• PSA: 103.79000
• Density: 1.61g/cm³
• LogP: 3.24750
• Water Solubility.: 2.74mg/L(25 oC)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 302.02489459
• Heavy Atom Count: 21
• Complexity: 477

Purity/Quality:

TIXANOX 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O