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2-(2-Carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid

2-(2-Carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid

Inquiry

Molecular Formula:

C7H10O4S3

Molecular Weight:

254.35

CAS Number:

870451-09-5

Catalog Number:

870451-09-5

Product Information

Molecular Formula:

C7H10O4S3

Molecular Weight:

254.35

Description

Used in the synthesis of macro-Chain Transfer Agent (CTA) which are used in the RAFT polymerisation of vinylic monomers like styrene, acrylate and acrylamide.

Synonyms

3-((((1-carboxyethyl)thio)carbonothioyl)thio)propanoic acid; 2-(2-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid; Propanoic acid, 2-[[[(2-carboxyethyl)thio]thioxomethyl]thio]-; 2,3'-(Carbonothioylbisthio)bispropanoic acid; 2-(2-carboxy-ethylsulfanylthiocarbonyl-sulfanyl) propionic acid; 2-({[(2-CARBOXYETHYL)SULFANYL]METHANETHIOYL}SULFANYL)PROPANOIC ACID

IUPAC Name

2-(2-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid

Canonical SMILES

CC(C(=O)O)SC(=S)SCCC(=O)O

InChI

InChI=1S/C7H10O4S3/c1-4(6(10)11)14-7(12)13-3-2-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)

InChI Key

IKWGMGMZWODWEO-UHFFFAOYSA-N

Purity

95% (GC)

Appearance

powder

Storage

2-8°C

Refractive Index

n20/D 1.526

Computed Properties

XLogP3

1.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

253.97412232 g/mol

Monoisotopic Mass

253.97412232 g/mol

Topological Polar Surface Area

157Å²

Heavy Atom Count

Formal Charge

Complexity

241

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2-(2-Carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid

Product Information

Computed Properties

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