Ethyl 2-(phenylcarbonothioylthio)-2-phenylacetate

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Molecular Formula:

C17H16O2S2

Molecular Weight:

316.44

CAS Number:

1150308-13-6

Catalog Number:

1150308-13-6

Product Information

Molecular Formula:

C17H16O2S2

Molecular Weight:

316.44

Description

Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization

Synonyms

α-[(Phenylthioxomethyl)thio]benzeneacetic acid ethyl ester,Benzodithioate phenyl acetic acid ethyl ester,dithiobenzoate RAFT

IUPAC Name

ethyl 2-(benzenecarbonothioylsulfanyl)-2-phenylacetate

Canonical SMILES

CCOC(=O)C(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2

InChI

InChI=1S/C17H16O2S2/c1-2-19-16(18)15(13-9-5-3-6-10-13)21-17(20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

InChI Key

SQKNCNYHCGWDEX-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

98%

Appearance

solid or liquid

Storage

2-8°C

Refractive Index

n20/D 1.600

Computed Properties

XLogP3

4.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

316.05917210 g/mol

Monoisotopic Mass

316.05917210 g/mol

Topological Polar Surface Area

83.7Å²

Heavy Atom Count

Formal Charge

Complexity

345

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-(phenylcarbonothioylthio)-2-phenylacetate

Product Information

Computed Properties

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