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4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid - 95%, high purity , CAS No.2055041-03-5

COA

Grade & Purity:

≥95%

Cas Number: 2055041-03-5
Molecular Weight: 307.41
MDL number: MFCD28385788
PubChem CID: 124203154

In stock

Item Number

C467186

Grouped product items
SKU	Size	Availability	Price
C467186-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
C467186-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$278.90
C467186-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$361.90

Basic Description

Synonyms	4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid \| SCHEMBL18586309 \| 4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid \| 4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid, 95% \| MFCD28385788 \| DTXSID10
Specifications & Purity	≥95%
Product Description	Description A stable, trithiocarbonate chain transfer agent (CTA), also referred to as a RAFT agent, which can control chain growth in free radical polymerization producing polymers with well-defined molecular weights and low polydispersities.4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid may be used to control homo- andco-polymerization of acrylic acids, acrylates, acrylamides, styrenes, methacrylates, and methacrylamides. It is soluble in aqueous and organic media (amphiphilic).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Thia fatty acids
Alternative Parents	Methyl-branched fatty acids Dicarboxylic acids and derivatives Sulfenyl compounds Nitriles Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-branched fatty acid - Thia fatty acid - Branched fatty acid - Dicarboxylic acid or derivatives - Sulfenyl compound - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
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	4-(2-carboxyethylsulfanylcarbothioylsulfanyl)-4-cyanopentanoic acid
INCHI	InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey	CTLAWKZAJCYIFX-UHFFFAOYSA-N
Smiles	CC(CCC(=O)O)(C#N)SC(=S)SCCC(=O)O
Isomeric SMILES	CC(CCC(=O)O)(C#N)SC(=S)SCCC(=O)O
Molecular Weight	307.41
Reaxy-Rn	31416126
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31416126&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	101-106℃
Molecular Weight	307.400 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	307.001 Da
Monoisotopic Mass	307.001 Da
Topological Polar Surface Area	181.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	390.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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