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Ditosylmethane

CAS No.:
15310-28-8
Catalog Number:
AG003OCF
Molecular Formula:
C15H16O4S2
Molecular Weight:
324.4151
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Product Description
Catalog Number:
AG003OCF
Chemical Name:
Ditosylmethane
CAS Number:
15310-28-8
Molecular Formula:
C15H16O4S2
Molecular Weight:
324.4151
MDL Number:
MFCD00032255
IUPAC Name:
1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
InChI:
InChI=1S/C15H16O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChI Key:
XLOXYWLRAKCDQL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CS(=O)(=O)c1ccc(cc1)C
NSC Number:
122663
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.409g/mol
Monoisotopic Mass:
324.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties