5469-66-9 | 1,3-Propanediol di-p-toluenesulfonate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$7.00	$5.00
5g	98%	in stock	$16.00	$11.00
25g	95%	in stock	$24.00	$17.00

Description

• Catalog Number: AB54036
• Chemical Name: 1,3-Propanediol di-p-toluenesulfonate
• CAS Number: 5469-66-9
• Molecular Formula: C17H20O6S2
• Molecular Weight: 384.4671
• MDL Number: MFCD00013392
• SMILES: Cc1ccc(cc1)S(=O)(=O)OCCCOS(=O)(=O)c1ccc(cc1)C
• NSC Number: 25205

Computed Properties

• Complexity: 532
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• XLogP3: 3.3

Literature

• 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