Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate structure

Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate

4-methylbenzenesulfonic acid;3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

Also Known As: T 2432|Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate|Thymyloxyessigsaeure-|A-N-piperidino-propylester-p-toluolsulfonat|(2-Isopropyl-5-methyl-phenoxy)-acetic acid 3-piperidin-1-yl-propyl ester|3-(piperidin-1-yl)propyl[5-methyl-2-(propan-2-yl)phenoxy]acetate 4-methylbenzenesulfonate(1:1)|4-Methylbenzene-1-sulfonic acid--3-(piperidin-1-yl)propyl [5-methyl-2-(propan-2-yl)phenoxy]acetate (1/1)|4-methylbenzenesulfonic acid; 3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

CAS: 37280-47-0
Molecular Formula C27H39NO6S
Molecular Weight 505.24982 g/mol
LogP 5.15814
Topological Polar Surface Area 102.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 10
Exact Mass 505.24982
Monoisotopic Mass 505.24982
Heavy Atoms 35
Complexity 572.0

Chemical Identifiers

CAS Number 37280-47-0
SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCCCN2CCCCC2
InChIKey JKSJJUXXBFIQKJ-UHFFFAOYSA-N

Product Overview

Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate (CAS 37280-47-0), with molecular formula C27H39NO6S and molecular weight 505.24982 g/mol. IUPAC: 4-methylbenzenesulfonic acid;3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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