Trimethylolpropane tris(3-mercaptopropionate)

Product Information

Molecular Formula:
C15H26O6S3
Molecular Weight:
398.56
Description
Trimethylolpropane tris(3-mercaptopropionate) may be used in the following studies: Preparation of hydrogels, via crosslinking inulin derivatives; Construction of porous hybrid monolithic materials; As monomer for the preparation of a new thiol-ene based polymeric fluorescence sensor, via photo initiated polymerization.
Synonyms
2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate
IUPAC Name
2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate
Canonical SMILES
CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChI
InChI=1S/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3
InChI Key
IMQFZQVZKBIPCQ-UHFFFAOYSA-N
Boiling Point
220 °C / 0.3 mmHg (lit.)
Flash Point
96 °C (C.C)
Purity
≥ 95.0 %
Density
1.21 g/cm3
Appearance
Colorless liquid
Refractive Index
n20/D 1.518 (lit.)
LogP
1.97210

Safety Information

Hazards
H315 H319
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
16
Exact Mass
398.08915207 g/mol
Monoisotopic Mass
398.08915207 g/mol
Topological Polar Surface Area
81.9Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
348
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

Patents

Publication Number Title Priority Date
CN-114163598-A Self-repairing polyurethane derived from bio-based polyol and preparation method thereof 2021-12-24
CN-114133901-A Epoxy adhesive 2021-12-22
CN-114057995-A Underfill material and preparation method and application thereof 2021-12-16
CN-114181231-A Multi-sulfhydryl compound and preparation method thereof 2021-12-16
JP-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
CN-114058355-A Composite petroleum displacement agent and preparation method thereof 2021-12-13
CN-114029856-A Chemical mechanical polishing pad with high end point detection precision, preparation method and application thereof 2021-11-30
CN-114130372-A Basalt fiber modified adsorption filler and preparation method thereof 2021-11-30
CN-113956438-A Preparation method of bio-based self-repairing flame-retardant material with high dielectric property 2021-11-22
JP-2022036986-A Infrared light transmission type composition 2021-11-22

Literatures

PMID Publication Date Title Journal
18576285 2008-10-08 Hydrogels for potential colon drug release by thiol-ene conjugate addition of a new inulin derivative Macromolecular bioscience
16046232 2005-12-01 Thiol-ene oligomers as dental restorative materials Dental materials : official publication of the Academy of Dental Materials
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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