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

Base Information

• Chemical Name: 3-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 25313-08-0
• Molecular Formula: C22H29ClFN7O7S2
• Molecular Weight: 622.0898
• NSC Number: 121520
• DSSTox Substance ID: DTXSID70298215

Synonyms:25313-08-0;NSC121520;DTXSID70298215;NSC-121520;Ethanesulfonic acid--3-[({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)

Chemical Property of 3-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid

Chemical Property:

• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 621.1242445
• Heavy Atom Count: 40
• Complexity: 1020

Purity/Quality:

Safty Information:

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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)OCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C

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