Home Sulfos 2,2-bis(tosyloxymethyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)

2,2-bis(tosyloxymethyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)

CAS No.:
1522-89-0
Catalog Number:
AG00ACD6
Molecular Formula:
C33H36O12S4
Molecular Weight:
752.8917
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$1048
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Product Description
Catalog Number:
AG00ACD6
Chemical Name:
2,2-bis(tosyloxymethyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)
CAS Number:
1522-89-0
Molecular Formula:
C33H36O12S4
Molecular Weight:
752.8917
MDL Number:
MFCD00159219
IUPAC Name:
[3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C33H36O12S4/c1-25-5-13-29(14-6-25)46(34,35)42-21-33(22-43-47(36,37)30-15-7-26(2)8-16-30,23-44-48(38,39)31-17-9-27(3)10-18-31)24-45-49(40,41)32-19-11-28(4)12-20-32/h5-20H,21-24H2,1-4H3
InChI Key:
KBTUOVZRXXHLOB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC(COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C
NSC Number:
179394
Properties
Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.109g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
752.879g/mol
Monoisotopic Mass:
752.109g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones. TheScientificWorldJournal 20120101
Properties