3-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid

Base Information

• Chemical Name: 3-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 21316-21-2
• Molecular Formula: C21H28FN7O6S2
• Molecular Weight: 557.6187
• NSC Number: 122137
• DSSTox Substance ID: DTXSID50298278

Synonyms:21316-21-2;NSC122137;DTXSID50298278;NSC-122137;Ethanesulfonic acid--3-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)

Chemical Property of 3-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid

Chemical Property:

• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 557.15265215
• Heavy Atom Count: 37
• Complexity: 937

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C

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