2-(6-Hydroxy-3-oxo-3h-xanthen-9-yl)-5-isothiocyanatobenzoic acid

Base Information

• Chemical Name: 2-(6-Hydroxy-3-oxo-3h-xanthen-9-yl)-5-isothiocyanatobenzoic acid
• CAS No.: 1173-43-9
• Molecular Formula: C₂₁H₁₁NO₅S
• Molecular Weight: 389.388
• NSC Number: 88639
• DSSTox Substance ID: DTXSID801014878
• Nikkaji Number: J1.077.337G
• Mol file: 1173-43-9.mol

Synonyms:2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-isothiocyanatobenzoic acid;2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-isothiocyanato-benzoic acid;2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanato-benzoic acid;FITC treated BSA;FITC treated BSA II;SCHEMBL2755000;DTXSID801014878;NSC88639;NSC-88639;AKOS024282726;J-650338

Chemical Property of 2-(6-Hydroxy-3-oxo-3h-xanthen-9-yl)-5-isothiocyanatobenzoic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 389.03579362
• Heavy Atom Count: 28
• Complexity: 838

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=C=S)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O