n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
• CAS No.: 19918-49-1
• Molecular Formula: C₁₃H₁₇N₃O₂S₂
• Molecular Weight: 311.429
• NSC Number: 97572
• DSSTox Substance ID: DTXSID30941831
• Nikkaji Number: J307.735G
• Wikidata: Q82918758
• Mol file: 19918-49-1.mol

Synonyms:19918-49-1;n-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide;NSC97572;SCHEMBL10555986;DTXSID30941831;NSC-97572;N-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzene-1-sulfonamide

Chemical Property of n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.89E-09mmHg at 25°C
• Boiling Point: 470.9°Cat760mmHg
• Flash Point: 238.6°C
• PSA: 108.57000
• Density: 1.316g/cm³
• LogP: 4.14370
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 311.07621914
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)C

Technology Process of n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide

There total 4 articles about n-(5-Butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide 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:

5-butyl-[1,3,4]thiadiazol-2-ylamine (14068-54-3) + p-toluenesulfonyl chloride (98-59-9) → N-(butyl-[1,3,4]thiadiazol-2-yl)-toluene-4-sulfonamide (19918-49-1)

Guidance literature:

With pyridine;

DOI:10.1139/v59-165

Reference yield:

n-valeryl chloride (638-29-9) → N-(butyl-[1,3,4]thiadiazol-2-yl)-toluene-4-sulfonamide (19918-49-1)

Guidance literature:

Multi-step reaction with 2 steps

2: pyridine

With pyridine;

Reference yield:

valeric acid (109-52-4) → N-(butyl-[1,3,4]thiadiazol-2-yl)-toluene-4-sulfonamide (19918-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated H₂SO₄

2: pyridine

With pyridine; sulfuric acid;

DOI:10.1139/v59-165

upstream raw materials:

5-butyl-[1,3,4]thiadiazol-2-ylamine

p-toluenesulfonyl chloride

n-valeryl chloride

valeric acid