Description

1,3,4-Thiadiazole, 2,5-bis(octyldithio)- (CAS No. 13539-13-4) is a high-purity sulfur- and nitrogen-containing heterocyclic compound with the molecular formula C₁₈H₃₄N₂S₅. This specialty chemical, also known by its IUPAC name 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole, features a unique 1,3,4-thiadiazole core functionalized with two octyldisulfanyl groups, making it an excellent candidate for applications requiring sulfur-based reactivity or lubricant additives. Its well-defined structure and high molecular weight (422.7 g/mol) ensure consistent performance in research and industrial formulations. Suitable for use in organic synthesis, material science, and tribology studies, this compound is available in various quantities to meet laboratory and bulk requirements. Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 13539-13-4
• Complexity: 258
• IUPAC Name: 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole
• InChI: InChI=1S/C18H34N2S5/c1-3-5-7-9-11-13-15-21-24-17-19-20-18(23-17)25-22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
• InChI Key: ZFOMEJJNWNWWIB-UHFFFAOYSA-N
• Exact Mass: 438.13255496
• Molecular Formula: C18H34N2S5
• Molecular Weight: 438.8
• SMILES: CCCCCCCCSSC1=NN=C(S1)SSCCCCCCCC
• Topological: 155
• Monoisotopic Mass: 438.13255496
• Physical Description: Liquid
• Synonyms: 2,5-Bis(octyldithio)-1,3,4-thiadiazole, 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-, EINECS 236-912-2, DTXSID0074001, 1,3,4-Thiadiazole, 2,5-bis(n-octyldithio)-, DTXCID9034317, 236-912-2, 13539-13-4, 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole, SCHEMBL283431, ZFOMEJJNWNWWIB-UHFFFAOYSA-N, AKOS028108524, 2,5-bis(octyldithio)-1,3,4-thiadiazol, NS00019547

Application

1,3,4-Thiadiazole, 2,5-bis(octyldithio)- is primarily utilized as an extreme-pressure additive in lubricants and greases, where its sulfur-rich structure enhances anti-wear properties. It also serves as a corrosion inhibitor in metalworking fluids due to its ability to form protective films on surfaces. Researchers employ this compound in organic synthesis to introduce sulfur functionalities or as a building block for heterocyclic systems.

Safety and Hazards

GHS Hazard Statements

• H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (77.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (91.8%)
• Skin Sens. 1 (99.1%)
• Eye Irrit. 2 (91.8%)
• Acute Tox. 4 (77.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.