2-(Dodecylthiocarbonothioylthio)propionic acid

Inquiry

Molecular Formula:

C16H30O2S3

Molecular Weight:

350.6

CAS Number:

558484-21-2

Catalog Number:

558484-21-2

Product Information

Molecular Formula:

C16H30O2S3

Molecular Weight:

350.6

Description

RAFT agent for controlled radical polymerization; especially suited for the polymerization of styrene, acrylate and acrylamide monomers. Chain Transfer Agent (CTA)

Synonyms

2-(Dodecylthiocarbonothioylthio)propanoic acid,2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid,DoPAT

IUPAC Name

2-dodecylsulfanylcarbothioylsulfanylpropanoic acid

Canonical SMILES

CCCCCCCCCCCCSC(=S)SC(C)C(=O)O

InChI

InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)

InChI Key

CFCFZJHCTNKHGJ-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

97%

Appearance

powder or crystals

Storage

2-8°C

Refractive Index

n20/D 1.512

Computed Properties

XLogP3

7.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

350.14079372 g/mol

Monoisotopic Mass

350.14079372 g/mol

Topological Polar Surface Area

120Å²

Heavy Atom Count

Formal Charge

Complexity

283

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-2022042999-A	Silicone copolymer	2020-09-03
JP-2022043003-A	Curable composition	2020-09-03
WO-2022050358-A1	Silicone copolymer	2020-09-03
WO-2022050361-A1	Curable composition	2020-09-03
AU-2021205113-A1	Functionalised nanoparticle	2020-07-17
CN-113945710-A	Functionalized nanoparticles	2020-07-17
EP-3940381-A1	Functionalised nanoparticle	2020-07-17
US-2022017820-A1	Functionalised Nanoparticle	2020-07-17
JP-2022015394-A	Inorganic filler dispersant, inorganic filler masterbatch, resin composition, its manufacturing method and molded product	2020-07-09
JP-2022015395-A	A method for producing an aqueous dispersion of particles containing a polymer, and a method for producing a block polymer.	2020-07-09

Literatures

PMID	Publication Date	Title	Journal
21754097	2011-04-01	2-[(Dodecylsulfanyl)carbonothioyl-sulfanyl]-propanoic acid	Acta crystallographica. Section E, Structure reports online

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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