2-(Dodecylthiocarbonothioylthio)propionic acid - ≥95% , CAS No.558484-21-2

CAS: 558484-21-2 Cat. No.: D469360 Fórmula: C₁₆H₃₀O₂S₃ Peso molecular: 350.6 Número EC: 695-614-4

GRADE & PURITY ≥95%

Synonyms

MFCD22200510 | BS-46987 | 2-(Dodecylthiocarbonothioylthio)propionic acid, 97% | 2-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid | 2-dodecylsulfanylcarbothioylsulfanylpropanoic acid | 2-(Dodecylthiocarbonothioylthio)propionic acid | DoPAT | SCHE

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Need help choosing the correct RAFT Agent? Please consult the RAFT Agent to Monomercompatibility table.RAFT agent for controlled radical polymerization; especially suited for the polymerization of styrene, acrylate and acrylamide monomers. Chain Transfer Agent (CTA)

Specifications

Sinónimos

MFCD22200510 | BS-46987 | 2-(Dodecylthiocarbonothioylthio)propionic acid, 97% | 2-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid | 2-dodecylsulfanylcarbothioylsulfanylpropanoic acid | 2-(Dodecylthiocarbonothioylthio)propionic acid | DoPAT | SCHE

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771735
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771735
• Sonrisas canónicas: CCCCCCCCCCCCSC(=S)SC(C)C(=O)O
• IUPAC Name: 2-dodecylsulfanylcarbothioylsulfanylpropanoic acid
• InChIKey: CFCFZJHCTNKHGJ-UHFFFAOYSA-N
• INCHI: 1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
• Isómeros SMILES: CCCCCCCCCCCCSC(=S)SC(C)C(=O)O
• Peso molecular: 350.6
• Reaxy-Rn: 10573444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10573444&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acids and conjugates
• Alternative Parents: Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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
• Descripción: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 78-82℃
• Peso molecular: 350.600 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 350.141 Da
• Monoisotopic Mass: 350.141 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 283.000
• 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

Referencias

1. Zhenghui Jing, Shuai Ping, Yutong An, Jia Wang, Ke Lei, Zhaohe Niu, Xinlong Zang, Zimin Liu.  (2025)  Nanovaccine designed for splenic delivery augments immune responses for tumor therapy.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166782]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 558484-21-2, the molecular formula is C16H30O2S3, and the molecular weight is 350.6 g/mol. InChIKey CFCFZJHCTNKHGJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.