289-06-5,MFCD01311030
Catalog No.:AA002WX6

289-06-5 | 1,3,4-Thiadiazole

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Purity
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100mg
97%
1 week  
$218.00   $153.00
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250mg
97%
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$369.00   $259.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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Technical Information
Catalog Number:
AA002WX6
Chemical Name:
1,3,4-Thiadiazole
CAS Number:
289-06-5
Molecular Formula:
C2H2N2S
Molecular Weight:
86.1157
MDL Number:
MFCD01311030
SMILES:
s1cnnc1
Properties
Computed Properties
 
Complexity:
26.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Downstream Synthesis Route

[1]ChemischeBerichte,1956,vol.89,p.1534,1540

[1]Chemicalandpharmaceuticalbulletin,1970,vol.18,p.1201-1210

[1]TetrahedronLetters,1974,p.843-846

[1]BulletindelaSocieteChimiquedeFrance,1985,p.62-65

Literature

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Title: Synthesis and evaluation of anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation properties of new 2-(4-isobutylphenyl)propanoic acid derivatives.

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Title: Design and Microwave-assisted Synthesis of 1,3,4-Oxadiazole Derivatives for Analgesic and Anti-inflammatory Activity.

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Title: Synthesis and antiepileptic activity of some novel semicarbazones containing 1,3,4-thiadiazole and quinazoline ring.

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Title: Synthesis and evaluation of the anti-microbial activity of new heterocycles containing the 1,3,4-thiadiazole moiety.

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Title: Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents.

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Title: Pro-oxidant and antiproliferative effects of the 1,3,4-thiadiazole-based Schiff base and its metal complexes.

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Journal: European journal of medicinal chemistry 20110901

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Title: Synthesis of novel 1,2,4-oxadiazoles and analogues as potential anticancer agents.

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Title: trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]cobalt(II) bis-(tetra-fluoridoborate).

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Experimental and theoretical study on molecular aggregation and its effect on the photo-physical properties of the mesogenic bi-1,3,4-thiadiazole derivative.

Journal: Physical chemistry chemical physics : PCCP 20110528

Title: NMR QSAR model for the analysis of 4-(5-arylamino-1,3,4-thiadiazol-2-yl)benzene-1,3-diols.

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Title: Synthesis and anti-Helicobacter pylori activity of 5-(nitroaryl)-1,3,4-thiadiazoles with certain sulfur containing alkyl side chain.

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Title: 3-[1-(4-Isobutyl-phen-yl)eth-yl]-6-(4-methyl-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

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Title: Synthesis and antifungal activity of novel sulfoxide derivatives containing trimethoxyphenyl substituted 1,3,4-thiadiazole and 1,3,4-oxadiazole moiety.

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Title: Synthesis and antimicrobial activity of new 1,2,4-triazole and 1,3,4-thiadiazole derivatives.

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Title: 3-(2-Fluoro-phen-yl)-6-(phenoxy-meth-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

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Title: Evaluation of electronic, lipophilic and membrane affinity effects on antiproliferative activity of 5-substituted-2-(2,4-dihydroxyphenyl)-1,3,4-thiadiazoles against various human cancer cells.

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Title: Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents.

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Tags:289-06-5 Molecular Formula|289-06-5 MDL|289-06-5 SMILES|289-06-5 1,3,4-Thiadiazole
Catalog No.: AA002WX6
289-06-5,MFCD01311030
289-06-5 | 1,3,4-Thiadiazole
Pack Size: 100mg
Purity: 97%
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Pack Size: 250mg
Purity: 97%
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Technical Information
Catalog Number: AA002WX6
Chemical Name: 1,3,4-Thiadiazole
CAS Number: 289-06-5
Molecular Formula: C2H2N2S
Molecular Weight: 86.1157
MDL Number: MFCD01311030
SMILES: s1cnnc1
Properties
Complexity: 26.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 5  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Downstream Synthesis Route
61929-24-6    289-06-5 

[1]ChemischeBerichte,1956,vol.89,p.1534,1540

289-06-5    2908-71-6    27497-91-2 

[1]Chemicalandpharmaceuticalbulletin,1970,vol.18,p.1201-1210

18686-82-3    289-06-5 

[1]TetrahedronLetters,1974,p.843-846

628-36-4    289-06-5 

[1]BulletindelaSocieteChimiquedeFrance,1985,p.62-65

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Title: Synthesis and antimicrobial activity of some new 1,3,4-thiadiazole and 1,2,4-triazole compounds having a D,L-methionine moiety.

Journal: Molecules (Basel, Switzerland)20070129

Title: Cyclization of thiosemicarbazide derivatives of 5-arylidene-2,4-dioxothiazolidine-3-acetic acids to 1,3,4-thiadiazoles and their pharmacological properties.

Journal: Acta poloniae pharmaceutica20070101

Title: Heterocyclic system containing bridgehead nitrogen atom: synthesis and pharmacological activities of some substituted 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles.

Journal: European journal of medicinal chemistry20060901

Title: X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications20060701

Title: Synthesis, anticonvulsant, and anti-inflammatory evaluation of some new benzotriazole and benzofuran-based heterocycles.

Journal: Bioorganic & medicinal chemistry20060601

Title: New 1,3,4-thiadiazole derivatives endowed with analgesic and anti-inflammatory activities.

Journal: Bioorganic & medicinal chemistry20060315

Title: Synthesis of 1,3,4-thiadiazole, 1,3,4-thiadiazine, 1,3,6-thiadiazepane and quinoxaline derivatives from symmetrical dithiobiureas and thioureidoethylthiourea derivatives.

Journal: Molecules (Basel, Switzerland)20050831

Title: The synthesis and antimicrobial activity of some new methyl N-arylthiocarbamates, dimethyl N-aryldithiocarbonimidates and 2-arylamino-2-imidazolines.

Journal: European journal of medicinal chemistry20050701

Title: Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1,3,4-thiadiazole- and 1,2,4-triazole-thiols.

Journal: Bioorganic & medicinal chemistry letters20050502

Title: Solid-phase synthesis of 1,3,4-oxadiazole and 1,3,4-thiadiazole derivatives via selective, reagent-based cyclization of acyldithiocarbazate resins.

Journal: Journal of combinatorial chemistry20050101

Title: 1,3,4-thiadiazole derivatives. Synthesis, structure elucidation, and structure-antituberculosis activity relationship investigation.

Journal: Journal of medicinal chemistry20041230

Title: Synthesis and antitrypanosomal profile of new functionalized 1,3,4-thiadiazole-2-arylhydrazone derivatives, designed as non-mutagenic megazol analogues.

Journal: Bioorganic & medicinal chemistry letters20041220

Title: Synthesis and antimicrobial activities of some new 1-(5-phenylamino-[1,3,4]thiadiazol-2-yl)methyl-5-oxo-[1,2,4]triazole and 1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-5-oxo- [1,2,4]triazole derivatives.

Journal: European journal of medicinal chemistry20040901

Title: Antimelanoma activity of 1,3,4-thiadiazolium mesoionics: a structure-activity relationship study.

Journal: Anti-cancer drugs20040301

Title: Thiosugar nucleosides. Synthesis and biological activity of 1,3,4-thiadiazole, thiazoline and thiourea derivatives of 5-thio-D-glucose.

Journal: Nucleosides, nucleotides & nucleic acids20040101

Title: The synthesis and antibacterial activity of 1,3,4-thiadiazole phenyl oxazolidinone analogues.

Journal: Bioorganic & medicinal chemistry letters20031201

Title: Synthesis, fungicidal activity, and 3D-QSAR of pyridazinone-substituted 1,3,4-oxadiazoles and 1,3,4-thiadiazoles.

Journal: Journal of agricultural and food chemistry20020619

Title: Synthesis and antimicrobial activity of new substituted anilinobenzimidazoles.

Journal: Archives of pharmacal research20020601

Title: Thiadiazole-derived expanded heteroazaporphyrinoids.

Journal: Organic letters20010712

Title: [Synthesis and antibacterial activities of 3,6-disubstituted-5,6-dihydrogen-1,2,4-s-triazolo-[3,4-b]-1,3,4-thiadiazoles].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica20010401

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