2,5-Dimethyl-1,3,4-thiadiazole

Base Information

• Chemical Name: 2,5-Dimethyl-1,3,4-thiadiazole
• CAS No.: 27464-82-0
• Molecular Formula: C4H6N2S
• Molecular Weight: 114.171
• Hs Code.: 2934 99 90
• European Community (EC) Number: 248-473-4
• NSC Number: 93787
• UNII: FRM8GDW64Z
• DSSTox Substance ID: DTXSID8067315
• Nikkaji Number: J250.517G
• Wikidata: Q72472171
• Mol file: 27464-82-0.mol

Synonyms:2,5-Dimethyl-1,3,4-thiadiazole;27464-82-0;1,3,4-Thiadiazole, 2,5-dimethyl-;2,5-Dimethylthiadiazole;dimethyl-1,3,4-thiadiazole;FRM8GDW64Z;EINECS 248-473-4;MFCD00020722;NSC 93787;NSC-93787;NSC93787;UNII-FRM8GDW64Z;SCHEMBL11957;DTXSID8067315;1,4-Thiadiazole, 2,5-dimethyl-;AKOS015912763;BP-12436;NS-01017;2,5-Dimethyl-1,3,4-thiadiazole, 97%;FT-0691459;[4-(2-chlorophenyl)phenyl]methylaminehydrochloride;A913293;J-016768

Chemical Property of 2,5-Dimethyl-1,3,4-thiadiazole

Chemical Property:

• Appearance/Colour: white to light yellow-brown adhering crystals
• Vapor Pressure: 0.415mmHg at 25°C
• Melting Point: 35-39 °C(lit.)
• Refractive Index: 1.534
• Boiling Point: 202.5 °C at 760 mmHg
• PKA: 1.48±0.10(Predicted)
• Flash Point: 81.2 °C
• PSA: 54.02000
• Density: 1.166 g/cm³
• LogP: 1.15490
• Storage Temp.: Store below +30°C.
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.02516937
• Heavy Atom Count: 7
• Complexity: 58.7

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NN=C(S1)C

Technology Process of 2,5-Dimethyl-1,3,4-thiadiazole

There total 5 articles about 2,5-Dimethyl-1,3,4-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: 100.0%

Diacetylhydrazin (3148-73-0) → 2,5-dimethyl-1,3,4-thiadiazole (27464-82-0)

Guidance literature:

With Lawessons reagent; In xylene; at 140 ℃; for 3.5h;

Reference yield:

thioacetylthioglycollic acid (17930-82-4) → 2,5-dimethyl-1,3,4-thiadiazole (27464-82-0)

Guidance literature:

With hydrazine hydrate; In water;

Reference yield:

→ 2,5-dimethyl-1,3,4-thiadiazole (27464-82-0)

Guidance literature:

With diphosphorus pentasulfide;

upstream raw materials:

Diacetylhydrazin

thioacetylthioglycollic acid

acetaldehyde

Downstream raw materials:

di-trans-styryl-[1,3,4]thiadiazole

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

2,5-Dimethyl-3-phenacyl-1,3,4-thiadiazolium-bromid

1-(5-methyl-1,3,4-thiadiazol-2-yl)acetone

Refernces

• 1、 Hagen, Helmut,Kohler, Rolf-Dieter,Fleig, Helmut. "New Syntheses with Elemental Sulfur. - Synthesis and Reactions of New 1,3,4-Thiadiazoles". . p. 1216 - 1231. Retrieved 2007/10/02.