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Ethyl 2-methyl-2-(phenylthiocarbonylthio)propionate - 95%, high purity , CAS No.201611-84-9

COA

Grade & Purity:

≥95%

Cas Number: 201611-84-9
Molecular Weight: 268.39
MDL number: MFCD23704392
PubChem CID: 9900072

In stock

Item Number

E467185

Grouped product items
SKU	Size	Availability	Price
E467185-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
E467185-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
E467185-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$425.90

Basic Description

Synonyms	ETHYL 2-(BENZENECARBOTHIOYLSULFANYL)-2-METHYLPROPANOATE \| Ethyl 2-methyl-2-(phenylthiocarbonylthio)propionate, 95% \| 2-(ETHOXYCARBONYL)-2-PROPYLDITHIOBENZOATE \| F82735 \| Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester \| Ethyl 2-methyl-
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description RAFT agent for controlled radical polymerization; well-suited for polymerization of methacrylates, methacrylamides, and to a lesser extent styrenes, acrylates, and acrylamides. Chain Transfer Agent (CTA)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Carboxylic acid esters Carbodithioic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Carbodithioic ester - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoate
INCHI	InChI=1S/C13H16O2S2/c1-4-15-12(14)13(2,3)17-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey	MDFLMFRGXQRZII-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C)(C)SC(=S)C1=CC=CC=C1
Isomeric SMILES	CCOC(=O)C(C)(C)SC(=S)C1=CC=CC=C1
Molecular Weight	268.39
Reaxy-Rn	9481276
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9481276&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light sensitive
Refractive Index	n20/D 1.600
Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	268.400 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	268.059 Da
Monoisotopic Mass	268.059 Da
Topological Polar Surface Area	83.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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