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90970-22-2

90970-22-2 | Benzenamine, 3,3'-[dithiobis(sulfonyl)]bis[6-methyl-

CAS No: 90970-22-2 Catalog No: AG006G5K MDL No:

Product Description

Catalog Number:
AG006G5K
Chemical Name:
Benzenamine, 3,3'-[dithiobis(sulfonyl)]bis[6-methyl-
CAS Number:
90970-22-2
Molecular Formula:
C14H16N2O4S4
Molecular Weight:
404.5478
IUPAC Name:
5-[(3-amino-4-methylphenyl)sulfonyldisulfanyl]sulfonyl-2-methylaniline
InChI:
InChI=1S/C14H16N2O4S4/c1-9-3-5-11(7-13(9)15)23(17,18)21-22-24(19,20)12-6-4-10(2)14(16)8-12/h3-8H,15-16H2,1-2H3
InChI Key:
ZDHGNRBWVSCQPE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N)S(=O)(=O)SSS(=O)(=O)c1ccc(c(c1)N)C

Properties

Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.999g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
404.532g/mol
Monoisotopic Mass:
403.999g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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