11-[(2-Aminophenyl)thio]-12-hydroxy-7,9-bis[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione

Base Information

• Chemical Name: 11-[(2-Aminophenyl)thio]-12-hydroxy-7,9-bis[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione
• CAS No.: 112827-63-1
• Molecular Formula: C40H30N4O3S2
• DSSTox Substance ID: DTXSID201107203

Synonyms:WQRRGKAVNVOMFW-UHFFFAOYSA-N;DTXSID201107203;11-[(2-Aminophenyl)thio]-12-hydroxy-7,9-bis[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione;112827-63-1

Chemical Property of 11-[(2-Aminophenyl)thio]-12-hydroxy-7,9-bis[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione

Chemical Property:

• XLogP3: 10.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 678.17593318
• Heavy Atom Count: 49
• Complexity: 1180

Purity/Quality:

99.0%min ^*data from raw suppliers

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• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC3=C(C4=C2C(=O)C5=C(C4=O)C(=C(C=C5NC6=CC=C(C=C6)C)SC7=CC=CC=C7N)O)NC8=CC=CC=C8S3

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