3-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylsulfamoyl]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]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 25313-12-6
• Molecular Formula: C21H28ClFN6O8S3
• Molecular Weight: 643.1288
• NSC Number: 122059
• DSSTox Substance ID: DTXSID60298264
• Mol file: 25313-12-6.mol

Synonyms:NSC122059;25313-12-6;DTXSID60298264;NSC-122059;Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]ethyl]sulfamoyl]benzenesulfonyl fluoride (1:1) (8CI) (MF2)

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

Chemical Property:

• Vapor Pressure: 6.7E-20mmHg at 25°C
• Boiling Point: 708.1°Cat760mmHg
• Flash Point: 382.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 642.0803312
• Heavy Atom Count: 40
• Complexity: 1120

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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