Pentaerythritol tetrakis(2-mercaptoacetate)
Product Information
Molecular Formula
C13H20O8S4
Molecular Weight
432.55
Description
Pentaerythritol tetrakis(2-mercaptoacetate) is an invaluable compound extensively utilized in the biomedical sphere. It exhibits remarkable antioxidant characteristics and finds application in diverse disease and condition treatments, showcasing its pivotal role in counteracting oxidative stress and eliminating pernicious free radicals. By doing so, this product aids in ameliorating drug-resistant malignancies and neurological degenerative ailments.
Synonyms
PENTAERYTHRITOL TETRAKIS(2-MERCAPTOACETATE); PENTAERYTHRITOL TETRATHIOGLYCOLATE; PENTAERYTHRITOL TETRAKIS(MERCAPTOACETATE); PENTAERYTHRITOL TETRA(MERCAPTOACETATE); ACETIC ACID, MERCAPTO-, 2,2-BIS [[(MERCAPTOACETYL) OXY] METHYL] -1,3-PROPANEDIYL ESTER; acetica
IUPAC Name
[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
SMILES
C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S
InChI
InChI=1S/C13H20O8S4/c14-9(1-22)18-5-13(6-19-10(15)2-23,7-20-11(16)3-24)8-21-12(17)4-25/h22-25H,1-8H2
InChI Key
RUDUCNPHDIMQCY-UHFFFAOYSA-N
Boiling Point
250°C (1 mmHg)
Flash Point
113 °C (C.C)
Purity
111.0117.0(SH equiv.)
Density
1.385
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
1.5470
Safety Information
Hazards
H315 H319 H335
Precautionary Statement
P261 P305+P351+P338
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
16
Exact Mass
432.00410229 g/mol
Monoisotopic Mass
432.00410229 g/mol
Topological Polar Surface Area
109Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
385
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
