5-Chloro-3-cyclopropyl-1,2,4-thiadiazole

Base Information

• Chemical Name: 5-Chloro-3-cyclopropyl-1,2,4-thiadiazole
• CAS No.: 122684-54-2
• Molecular Formula: C5H5ClN2S
• Molecular Weight: 160.62500
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00602205
• Wikidata: Q82499170
• Mol file: 122684-54-2.mol

Synonyms:5-Chloro-3-cyclopropyl-1,2,4-thiadiazole;122684-54-2;1,2,4-Thiadiazole, 5-chloro-3-cyclopropyl-;SCHEMBL6424796;DTXSID00602205;HBUPMSWOBPCNDW-UHFFFAOYSA-N;XEA68454;MFCD14707316;STL301955;AKOS014313671;AT38743;DA-20466;5-chloro-3-cyclopropyl-[1,2,4]thiadiazole;EN300-87250;F2111-0064;Z1255366823

Chemical Property of 5-Chloro-3-cyclopropyl-1,2,4-thiadiazole

Chemical Property:

• PSA: 54.02000
• LogP: 2.06890
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 159.9861970
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-3-cyclopropyl-1,2,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=NSC(=N2)Cl

Technology Process of 5-Chloro-3-cyclopropyl-1,2,4-thiadiazole

There total 1 articles about 5-Chloro-3-cyclopropyl-1,2,4-thiadiazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.0%

→ 5-chloro-3-cyclopropyl-1,2,4-thiadiazole (122684-54-2)

Guidance literature:

Reference yield: 8.0%

(1S,3S)-3-((6-(5-(hydroxymethyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methyl-pyridin-3-yl)oxy)cyclohexane-1-carboxylic acid + 5-chloro-3-cyclopropyl-1,2,4-thiadiazole (122684-54-2) + trifluoroacetic acid (76-05-1) → (1S,3S)-3-((6-(5-(((3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy)methyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methylpyridin-3-yl)oxy)cyclohexane-1-carboxylic acid

Guidance literature:

(1S,3S)-3-((6-(5-(hydroxymethyl)-1-methyl-1H-1,2,3-triazol-4-yl)-2-methyl-pyridin-3-yl)oxy)cyclohexane-1-carboxylic acid; With sodium hydride; In 1,4-dioxane; mineral oil; at 20 ℃; for 0.166667h;

5-chloro-3-cyclopropyl-1,2,4-thiadiazole; In 1,4-dioxane; mineral oil; for 1h; Microwave irradiation;

trifluoroacetic acid; In water; acetonitrile;

Refernces