N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

Base Information

• Chemical Name: N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide
• CAS No.: 6371-50-2
• Molecular Formula: C36H19 N3 O5 S
• Molecular Weight: 605.61816
• European Community (EC) Number: 228-897-6
• DSSTox Substance ID: DTXSID2064280
• Mol file: 6371-50-2.mol

Synonyms:Benzamide,N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-1-anthraquinonyl]-(8CI); Anthra[2,3-d]thiazole, benzamide deriv.; C.I. 67105; C.I. Vat Blue 31;Indanthren Blue CLG; Mikethrene Blue CLG; Palanthrene Blue CLG

Chemical Property of N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

Chemical Property:

• PSA: 168.02000
• Density: 1.545g/cm³
• LogP: 7.31380
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 605.10454189
• Heavy Atom Count: 45
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C4=NC5=C(S4)C=C6C(=C5)C(=O)C7=CC=CC=C7C6=O)N)C(=O)C8=CC=CC=C8C3=O

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