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Home Sulfos 1,3-Propanediol di-p-toluenesulfonate

1,3-Propanediol di-p-toluenesulfonate

CAS No.:
5469-66-9
Catalog Number:
AG003B0C
Molecular Formula:
C17H20O6S2
Molecular Weight:
384.4671
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003B0C
Chemical Name:
1,3-Propanediol di-p-toluenesulfonate
CAS Number:
5469-66-9
Molecular Formula:
C17H20O6S2
Molecular Weight:
384.4671
MDL Number:
MFCD00013392
IUPAC Name:
3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChI Key:
ODVREDGIWSDQFD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCCOS(=O)(=O)c1ccc(cc1)C
EC Number:
611-186-3
NSC Number:
25205
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.07g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.461g/mol
Monoisotopic Mass:
384.07g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
1,3-Bis{[(4-methyl-phen-yl)sulfon-yl]-oxy}propan-2-yl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20120301
Fully automated synthesis of O-(3-[18F]fluoropropyl)-L-tyrosine by direct nucleophilic exchange on a quaternary 4-aminopyridinium resin. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20030601
Properties