Sodium thioctate - ≥98% , CAS No.2319-84-8

CAS: 2319-84-8 Cat. No.: S352645 分子式: C₈H₁₃NaO₂S₂ 分子量: 228.31 PubChem CID: 23665026

GRADE & PURITY ≥98%

Synonyms

Tioicorzan | J-015028 | Eparidasi | SODIUM THIOCTATE, (+/-)- | alpha-Lipoic Acid (sodium) | Filban Chewable Wafers | Tioctene | sodium 5-(1,2-dithiolan-3-yl)pentanoate | AS-17604 | BCBcMAP01_000080 | UNII-L9R2WBJ3BR | 1,2-Dithiolane-3-pentanoic acid, sodi

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Tioicorzan | J-015028 | Eparidasi | SODIUM THIOCTATE, (+/-)- | alpha-Lipoic Acid (sodium) | Filban Chewable Wafers | Tioctene | sodium 5-(1,2-dithiolan-3-yl)pentanoate | AS-17604 | BCBcMAP01_000080 | UNII-L9R2WBJ3BR | 1,2-Dithiolane-3-pentanoic acid, sodi

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

488200406

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488200406

カノニカル・スマイル

C1CSSC1CCCCC(=O)[O-].[Na+]

IUPAC Name

sodium;5-(dithiolan-3-yl)pentanoate

InChIKey

UUDFBRWLHZIIQX-UHFFFAOYSA-M

INCHI

1S/C8H14O2S2.Na/c9-8(10)4-2-1-3-7-5-6-11-12-7;/h7H,1-6H2,(H,9,10);/q;+1/p-1

異性体SMILES

C1CSSC1CCCCC(=O)[O-].[Na+]

PubChem CID

23665026

分子量

228.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Dithiolanes
      • Subclass Lipoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Dithiolanes
• Subclass: Lipoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lipoic acids and derivatives
• Alternative Parents: Medium-chain fatty acids Thia fatty acids 1,2-dithiolanes Organic disulfides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Lipoic_acid_derivative - Medium-chain fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - 1,2-dithiolane - Carboxylic acid salt - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic sodium salt - Organic salt - Organic cation - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
• 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

化学的性質と物理的性質

• 融点（°C）: 241-253° C
• 分子量: 228.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 228.025 Da
• Monoisotopic Mass: 228.025 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• 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: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2319-84-8, the molecular formula is C8H13NaO2S2, and the molecular weight is 228.31 g/mol. InChIKey UUDFBRWLHZIIQX-UHFFFAOYSA-M.

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.