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4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid

4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid

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Molecular Formula:

C10H13NO4S3

Molecular Weight:

307.41

CAS Number:

2055041-03-5

Catalog Number:

2055041-03-5

Product Information

Molecular Formula:

C10H13NO4S3

Molecular Weight:

307.41

Description

A stable, trithiocarbonate chain transfer agent (CTA), also referred to as a RAFT agent, which can control chain growth in free radical polymerization producing polymers with well-defined molecular weights and low polydispersities.4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid may be used to control homo- and co-polymerization of acrylic acids, acrylates, acrylamides, styrenes, methacrylates, and methacrylamides. It is soluble in aqueous and organic media (amphiphilic).

Synonyms

4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid, 95%; Trithiocarbonic acid (1-methyl-1-cyano-3-carboxypropyl)(2-carboxyethyl) ester

IUPAC Name

4-(2-carboxyethylsulfanylcarbothioylsulfanyl)-4-cyanopentanoic acid

Canonical SMILES

CC(CCC(=O)O)(C#N)SC(=S)SCCC(=O)O

InChI

InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)

InChI Key

CTLAWKZAJCYIFX-UHFFFAOYSA-N

Purity

95%

Appearance

powder

Storage

2-8°C

Refractive Index

n20/D 1.526

Computed Properties

XLogP3

1.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

307.00067142 g/mol

Monoisotopic Mass

307.00067142 g/mol

Topological Polar Surface Area

181Å²

Heavy Atom Count

Formal Charge

Complexity

390

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022015394-A	Inorganic filler dispersant, inorganic filler masterbatch, resin composition, its manufacturing method and molded product	2020-07-09
JP-2021195432-A	Hot melt adhesive	2020-06-12
JP-2021193438-A	Photosensitive coloring compositions, color filters and liquid crystal displays	2020-06-09
WO-2021211976-A2	Polymer excipients for biopharmaceutical formulations	2020-04-17
JP-2021031672-A	UV-absorbing polymers, molding compositions, and moldings	2020-03-31
KR-20210107976-A	Super absorbent polymer	2020-02-24
JP-2021080433-A	Pigment composition, photosensitive pigment composition, color filter and display device	2019-11-20
WO-2021067293-A2	Bioactive peptide brush polymers via photoinduced reversible-deactivation radical polymerization	2019-09-30
JP-2021042330-A	Copolymers, draw solutes, draw solutions and water treatment equipment	2019-09-12
JP-2021031542-A	UV-absorbing polymers, molding compositions, and moldings	2019-08-21

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid

Product Information

Computed Properties

Patents

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