2-(Dodecylthiocarbonothioylthio)-2-methylpropionic acid（DDMAT） - ≥97%(HPLC) , CAS No.461642-78-4

CAS: 461642-78-4 Cat. No.: D138874 Molecular Weight: 364.63 EC Number: 663-505-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid | 2-(Dodecylthiocarbonothioylthio)-2-methylpropionic acid | 2-Methyl-2-[(dodecylsulfanylthiocarbonyl)sulfanyl]propanoic acid | 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid | DDMAT

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

RAFT agent,usually used for the polymerization of styrene, acrylate and acrylamide monomers.

Specifications

Synonyms

2-(((Dodecylthio)carbonothioyl)thio)-2-methylpropanoic acid | 2-(Dodecylthiocarbonothioylthio)-2-methylpropionic acid | 2-Methyl-2-[(dodecylsulfanylthiocarbonyl)sulfanyl]propanoic acid | 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid | DDMAT

Specifications & Purity

≥97%(HPLC)

Storage

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.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488197533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197533
• Canonical Smiles: CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
• IUPAC Name: 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid
• InChIKey: DZFGVGDQHQHOKZ-UHFFFAOYSA-N
• INCHI: 1S/C17H32O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(20)22-17(2,3)15(18)19/h4-14H2,1-3H3,(H,18,19)
• Isomeric SMILES: CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
• WGK Germany: 3
• Molecular Weight: 364.63
• Reaxy-Rn: 9938905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9938905&ln=

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: Branched fatty acids
• Alternative Parents: Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Sensitivity: Light & Heat sensitive
• Melt Point(°C): 57-63°C
• Molecular Weight: 364.600 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 364.156 Da
• Monoisotopic Mass: 364.156 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 317.000
• 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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