Ethyl 2-(4-methoxyphenylcarbonothioylthio)acetate

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Molecular Formula:

C12H14O3S2

Molecular Weight:

270.37

CAS Number:

129841-40-3

Catalog Number:

129841-40-3

Product Information

Molecular Formula:

C12H14O3S2

Molecular Weight:

270.37

Description

RAFT agent for controlled radical polymerization; especially suited for the polymerization of methacrylate and methacrylamide monomers. Chain Transfer Agent (CTA) with electron donating group to increase fragmentation and reduce polymerization time.

Synonyms

2-[(4-Methoxyphenylthioxomethyl)thio]ethanoic acid ethyl ester,CTA,RAFT dithiobenzoate

IUPAC Name

ethyl 2-(4-methoxybenzenecarbothioyl)sulfanylacetate

Canonical SMILES

CCOC(=O)CSC(=S)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H14O3S2/c1-3-15-11(13)8-17-12(16)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3

InChI Key

YZSCQGUNDFCXBR-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

99%

Appearance

solid or liquid

Storage

2-8°C

Refractive Index

n20/D 1.621

Computed Properties

XLogP3

3.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

270.03843665 g/mol

Monoisotopic Mass

270.03843665 g/mol

Topological Polar Surface Area

92.9Å²

Heavy Atom Count

Formal Charge

Complexity

261

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

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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Ethyl 2-(4-methoxyphenylcarbonothioylthio)acetate

Product Information

Computed Properties

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