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2-Nitro-5-(2-propynyloxy)benzyl 4-cyano-4-(phenylcarbonothioylthio)pentanoate

2-Nitro-5-(2-propynyloxy)benzyl 4-cyano-4-(phenylcarbonothioylthio)pentanoate

Inquiry

Molecular Formula:

C23H20N2O5S2

Molecular Weight:

468.55

CAS Number:

1318075-32-9

Catalog Number:

1318075-32-9

Product Information

Molecular Formula:

C23H20N2O5S2

Molecular Weight:

468.55

Description

RAFT agent for controlled radical polymerization; especially suited for the polymerization of methacrylate and methacrylamide monomers. Chain Transfer Agent (CTA) with alkyne functionality for ligation and a photo-sensitive moiety for controlled cleavage.

Synonyms

Clickable CTA,Light-sensitive clickable RAFT agent,RAFT agent

IUPAC Name

(2-nitro-5-prop-2-ynoxyphenyl)methyl 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate

Canonical SMILES

CC(CCC(=O)OCC1=C(C=CC(=C1)OCC#C)[N+](=O)[O-])(C#N)SC(=S)C2=CC=CC=C2

InChI

InChI=1S/C23H20N2O5S2/c1-3-13-29-19-9-10-20(25(27)28)18(14-19)15-30-21(26)11-12-23(2,16-24)32-22(31)17-7-5-4-6-8-17/h1,4-10,14H,11-13,15H2,2H3

InChI Key

IOYDTDXAMFFKOA-UHFFFAOYSA-N

Boiling Point

275.2-284.4 °C

Flash Point

>230 °F

Purity

97%

Appearance

liquid

Storage

2-8°C

Refractive Index

n20/D 1.6288

Computed Properties

XLogP3

4.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

468.08136409 g/mol

Monoisotopic Mass

468.08136409 g/mol

Topological Polar Surface Area

163Å²

Heavy Atom Count

Formal Charge

Complexity

774

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
WO-2020122422-A1	Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same	2018-12-13
EP-3750928-A1	Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same	2018-12-13
KR-20200073065-A	Acryl based copolymer, method for preparing the same and acryl based copolymer composition comprising the acryl based copolymer	2018-12-13
US-2021002401-A1	Acrylic Copolymer, Method of Preparing the Same, and Acrylic Copolymer Composition Including the Same	2018-12-13
EP-3581929-A1	Method for quantitatively measuring the concentration of chemicals in aqueous solution	2018-06-14
US-2019383803-A1	Method for quantitatively measuring the concentration of chemicals in aqueous solution	2018-06-14
US-10900959-B2	Method for quantitatively measuring the concentration of chemicals in aqueous solution	2018-06-14
EP-3495040-A1	Porous materials, method for producing same and uses thereof	2017-12-08
WO-2019110318-A1	Porous materials, method for producing same and uses thereof	2017-12-08
EP-3710061-A1	Polymer prodrugs and subcutaneous and/or intramuscular administration thereof	2017-11-17

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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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2-Nitro-5-(2-propynyloxy)benzyl 4-cyano-4-(phenylcarbonothioylthio)pentanoate

Product Information

Computed Properties

Patents

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