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

Base Information

• Chemical Name: 5-Chloro-3-methyl-1,2,4-thiadiazole
• CAS No.: 21734-85-0
• Molecular Formula: C3H3ClN2S
• Molecular Weight: 134.589
• Hs Code.: 2934999090
• European Community (EC) Number: 851-633-1
• DSSTox Substance ID: DTXSID30512944
• Wikidata: Q82372399
• Mol file: 21734-85-0.mol

Synonyms:5-chloro-3-methyl-1,2,4-thiadiazole;21734-85-0;MFCD08234803;1,2,4-Thiadiazole,5-chloro-3-methyl-;5-Chloro-3-methyl-[1,2,4]thiadiazole;SCHEMBL547688;DTXSID30512944;ILTLLMVRPBXCSX-UHFFFAOYSA-N;AKOS009278455;CS-W022352;GS-4285;MB05736;SY027850;AM20090202;FT-0649693;EN300-36715;A815636;J-517350;5-Chloro-3-methyl-1 pound not2 pound not4-thiadiazole;F8881-5214;Z368555490

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

Chemical Property:

• Vapor Pressure: 0.159mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 221.475 °C at 760 mmHg
• PKA: 0.36±0.10(Predicted)
• Flash Point: 87.745 °C
• PSA: 54.02000
• Density: 1.438 g/cm³
• LogP: 1.49990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.9705470
• Heavy Atom Count: 7
• Complexity: 70

Purity/Quality:

97% ^*data from raw suppliers

5-chloro-3-methyl-1,2,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSC(=N1)Cl

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

There total 8 articles about 5-Chloro-3-methyl-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: 83.0%

acetamidine hydrochloride (124-42-5) + chlorothio-trichloro-methane (594-42-3) → 5-chloro-3-methyl-1,2,4-thiazole (21734-85-0)

Guidance literature:

With sodium hydroxide; In water; at -5 - 20 ℃;

Reference yield:

trichloromethyl mercaptan (75-70-7) + acetamidine hydrochloride (124-42-5) → 5-chloro-3-methyl-1,2,4-thiazole (21734-85-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at -10 - 0 ℃; Inert atmosphere;

Reference yield:

ethanimidamide hydrochloride + chlorothio-trichloro-methane (594-42-3) → 5-chloro-3-methyl-1,2,4-thiazole (21734-85-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; at -10 - 0 ℃; for 12h; Inert atmosphere;

upstream raw materials:

dichloromethane

1-methyl-4-nitrosobenzene

acetamidine hydrochloride

chlorothio-trichloro-methane

Downstream raw materials:

N-(4-(4-fluorophenyl)pyridin-2-yl)-3-methyl-1,2, 4-thiadiazol-5-amine

2-{6-(4-chloro-benzyl)-2-[(rac)-3-endo-8-(3-methyl-[1,2,4]thiadiazol-5-yl)-8-aza-bicyclo[3.2.1]oct-3-ylamino]-pyrimidin-4-yl}-propan-2-ol

[(rac)-3-exo-8-(3-methyl-[1,2,4]thiadiazol-5-yl)-8-aza-bicyclo[3.2.1]oct-3-yl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine

[(rac)-8-(3,4-difluoro-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[(rac)-8-endo-3-(3-methyl-[1,2,4]thiadiazol-5-yl)-3-aza-bicyclo[3.2.1]oct-8-yl]-amine