5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

Base Information

• Chemical Name: 5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole
• CAS No.: 51302-12-6
• Molecular Formula: C5H7ClN2S
• Molecular Weight: 162.643
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40512112
• Wikidata: Q82371218
• Mol file: 51302-12-6.mol

Synonyms:51302-12-6;5-chloro-3-(propan-2-yl)-1,2,4-thiadiazole;5-CHLORO-3-ISOPROPYL-1,2,4-THIADIAZOLE;5-chloro-3-propan-2-yl-1,2,4-thiadiazole;SCHEMBL752761;DTXSID40512112;AWBVSQNEHPVFIF-UHFFFAOYSA-N;BCA30212;MFCD09743916;AKOS006331861;FT-0695660;EN300-87249;5-chloro-3-(1-methylethyl)-1,2,4-thiadiazole;A828524;F2111-0065;Z1198221947

Chemical Property of 5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

Chemical Property:

• Boiling Point: 239.8±23.0 °C(Predicted)
• PKA: 0.17±0.10(Predicted)
• PSA: 54.02000
• Density: 1.276±0.06 g/cm3(Predicted)
• LogP: 2.31490
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.0018471
• Heavy Atom Count: 9
• Complexity: 99

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-chloro-3-(propan-2-yl)-1,2,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NSC(=N1)Cl

Technology Process of 5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

There total 3 articles about 5-Chloro-3-(propan-2-yl)-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: 42.0%

→ 5-chloro-3-isopropyl-1,2,4-thiadiazole (51302-12-6)

Guidance literature:

Reference yield:

2-methylpropanimidamide hydrochloride (22007-68-7) + chlorothio-trichloro-methane (594-42-3) → 5-chloro-3-isopropyl-1,2,4-thiadiazole (51302-12-6)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 0 - 20 ℃; for 5.33333h;

Reference yield:

trichloromethyl mercaptan (75-70-7) + isobutyramidine (57536-10-4) → 5-chloro-3-isopropyl-1,2,4-thiadiazole (51302-12-6)

Guidance literature:

upstream raw materials:

trichloromethyl mercaptan

isobutyramidine

2-methylpropanimidamide hydrochloride

chlorothio-trichloro-methane

Downstream raw materials:

4-acetylamino-N-(3-isopropyl-[1,2,4]thiadiazol-5-yl)-benzenesulfonamide

1-(2-fluoro-4-(methylsulfonyl)benzyl)-3-(1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)imidazolidin-2-one