Dihydrolipoic Acid - Moligand™, ≥97% , CAS No.462-20-4

CAS: 462-20-4 Cat. No.: D303763 Molecular Weight: 208.34 EC Number: 610-288-5

GRADE & PURITY Moligand™, ≥97%

Synonyms

DHLA | 6,8-dimercapto-Octanoate | Dihydrolipoic acid | dihydro-lipoic acid | USAF XR-12 | 6,8-Dimercapto-n-octanoic Acid | (+/-)-DIHYDRO-.ALPHA.-LIPOIC ACID | Lipoic acid, dihydro- | UNII-7NV2KHU5JA | 6,8-bis(sulfanyl)octanoic acid | 6,8-bismercaptooctano

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DHLA | 6, 8-dimercapto-Octanoate | Dihydrolipoic acid | dihydro-lipoic acid | USAF XR-12 | 6, 8-Dimercapto-n-octanoic Acid | (+/-)-DIHYDRO-.ALPHA.-LIPOIC ACID | Lipoic acid, dihydro- | UNII-7NV2KHU5JA | 6, 8-bis(sulfanyl)octanoic acid | 6, 8-bismercaptooctano

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504750387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750387
• Canonical Smiles: C(CCC(=O)O)CC(CCS)S
• IUPAC Name: 6,8-bis(sulfanyl)octanoic acid
• InChIKey: IZFHEQBZOYJLPK-UHFFFAOYSA-N
• INCHI: 1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
• Isomeric SMILES: C(CCC(=O)O)CC(CCS)S
• Molecular Weight: 208.34
• Reaxy-Rn: 1722777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722777&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: Medium-chain fatty acids
• Alternative Parents: Thia fatty acids Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Thia fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: thio-fatty acid

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: heat sensitive
• Refractive Index: 1.52
• Flash Point(°C): 172 °C
• Boil Point(°C): 175°C /0.011kPa
• Molecular Weight: 208.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 208.059 Da
• Monoisotopic Mass: 208.059 Da
• Topological Polar Surface Area: 39.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 128.000
• 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

References

1. Yifeng Tan, Shaoxiong Zhang, Yangyang Cheng, Shiyong Zhang.  (2025)  Cross-linked selenolipoic acid nanoplatform modulates intracellular and extracellular reactive oxygen species for cancer immunotherapy.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40818722] [10.1016/j.jconrel.2025.114130]