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Home Nitro Compounds 1004324-99-5
1004324-99-5,MFCD18382093
Catalog No.:AA0001WG
1004324-99-5 | Benzenesulfonamide, N-[4-[(1E)-2-[4-cyano-5-(dicyanomethylene)-2,5-dihydro-2,2-dimethyl-3-furanyl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,4-dinitro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$261.00   $183.00
- +
10mg
≥98%
in stock  
$443.00   $310.00
- +
50mg
≥98%
in stock  
$1,474.00   $1,032.00
- +
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Technical Information
Catalog Number:
AA0001WG
Chemical Name:
Benzenesulfonamide, N-[4-[(1E)-2-[4-cyano-5-(dicyanomethylene)-2,5-dihydro-2,2-dimethyl-3-furanyl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,4-dinitro-
CAS Number:
1004324-99-5
Molecular Formula:
C31H30N6O10S
Molecular Weight:
678.6691
MDL Number:
MFCD18382093
IUPAC Name:
N-[4-[(E)-2-[4-cyano-5-(dicyanomethylidene)-2,2-dimethylfuran-3-yl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,4-dinitrobenzenesulfonamide
InChI:
InChI=1S/C31H30N6O10S/c1-31(2)27(26(21-34)30(47-31)23(19-32)20-33)10-6-22-4-7-24(8-5-22)35(12-13-45-16-17-46-15-14-44-3)48(42,43)29-11-9-25(36(38)39)18-28(29)37(40)41/h4-11,18H,12-17H2,1-3H3/b10-6+
InChI Key:
CDPMXQUCTGVMFA-UXBLZVDNSA-N
SMILES:
COCCOCCOCCN(S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1)/C=C/C1=C(C#N)C(=C(C#N)C#N)OC1(C)C
Properties
Computed Properties
 
Complexity:
1520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
678.174412g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.7g/mol
Monoisotopic Mass:
678.174412g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
246Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
ThioFluor 623 
1004324-99-5 
SCHEMBL10304712 
C31H30N6O10S 
2072AH 
ZINC97972495 
J-000131 
Benzenesulfonamide, N-[4-[(1E)-2-[4-cyano-5-(dicyanomethylene)-2,5-dihydro-2,2-dimethyl-3-furanyl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,4-dinitro- 
N-[4-[2-[2,2-Dimethyl-4-cyano-5-(dicyanomethylene)-2,5-dihydrofuran-3-yl]ethenyl]phenyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,4-dinitrobenzenesulfonamide 
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