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

Base Information
  • Chemical Name:4-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
  • CAS No.:20092-07-3
  • Molecular Formula:C21H27ClFN7O6S2
  • Molecular Weight:592.0638
  • Hs Code.:
  • NSC Number:120920
  • DSSTox Substance ID:DTXSID40942117
4-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid

Synonyms:20092-07-3;NSC120920;DTXSID40942117;NSC-120920;Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]benzenesulfonyl fluoride (1:1);Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]ureido]benzenesulfonyl fluoride (1:1);Ethanesulfonic acid--N'-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]methyl}-N-[4-(fluorosulfonyl)phenyl]carbamimidic acid (1/1)

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Chemical Property of 4-[[2-Chloro-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:591.1136798
  • Heavy Atom Count:38
  • Complexity:974
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SDS file from LookChem

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