2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole

Basic Information

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CAS Number

13539-13-4

Molecular Formula

C18H34N2S5

Molecular Weight

438.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCCCCCCSSC1=NN=C(S1)SSCCCCCCCC

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

InChIKey

ZFOMEJJNWNWWIB-UHFFFAOYSA-N

LogP

8.739700000000001

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

258

Synonyms & References

English

FT-0697593
EINECS 236-912-2
2,5-Bis-octyldisulfanyl-[1,3,4]thia
AKOS028108524
2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole
DTXSID0074001
NS00019547
2,5-Bis(octyldithio)-1,3,4-thiadiazole
SCHEMBL283431
1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
1,3,4-Thiadiazole, 2,5-bis(n-octyldithio)-
13539-13-4
2,5-bis(octyldithio)-1,3,4-thiadiazol
2,5-bis(octyldithio)-1,3,4-thiadiazole
2,5-Bis(octyldithio)-1,3,4-thiadiazole DMTD Derivative
1,3,4-Thiadiazole,2,5-bis(octyldithio)
2,5-DIMERCAPTO-1,3,4-THIADIAZOLE DERIVATIVE
2,5-DIMERCAPTOTHIADIAZOLE DERIVATIVE
bis-octyldisulfanyl-[1,3,4]thiadiazole
2,5-Bis(n-octyldithio)thiadiazole
TH561
as cuvan 826
new Metallic passivator antioxidant
2,5-BIS(N-OCTYLDITHIO)-1,3,4-THIADIAZOLE
2,5-diMercaptothiodiazole and thioalcohol
CUVAN 826

MDL Number

MFCD11559081

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4)?

2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4) is a crystalline solid with a molecular weight of approximately 424.4 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity in thiol-disulfide exchange reactions and is stable under normal storage conditions but should be protected from strong oxidizing agents and light.

How is 2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4) typically synthesized?

2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole is typically synthesized via the reaction of thiosemicarbazide with octanethiol in the presence of a catalyst like tetrabutylammonium bromide. The reaction involves the formation of a thiosemicarbazonium salt followed by an intramolecular cyclization, leading to the formation of the 1,3,4-thiadiazole ring. This process yields the compound in good to excellent purity and selectivity.

What industries use 2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4)?

2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4) finds application in various industries. It is used in pharmaceuticals as a precursor for drug intermediates, in polymer science to improve material properties, in sensor technology for detecting thiols, and in semiconductor manufacturing for functionalizing surfaces. Its unique chemical properties make it valuable in these and other specialized fields.

What precautions should be taken when handling 2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4)?

When handling 2,5-Bis(octyldisulfanyl)-1,3,4-thiadiazole (CAS: 13539-13-4), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be stored in a cool, dry place away from strong oxidizing agents and light. In case of spill, it should be cleaned up using appropriate absorbent materials, and the area should be ventilated properly. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.