2-Acetylthiophene semicarbazone

Base Information

• Chemical Name: 2-Acetylthiophene semicarbazone
• CAS No.: 3771-70-8
• Molecular Formula: C7H9 N3 O S
• Molecular Weight: 183.234
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60958750
• Mol file: 3771-70-8.mol

Synonyms:3771-70-8;2-acetylthiophene semicarbazone;Maybridge1_007449;DTXSID60958750;AKOS017263203;{[1-(thiophen-2-yl)ethylidene]amino}urea;2-[1-(Thiophen-2-yl)ethylidene]hydrazine-1-carboximidic acid

Chemical Property of 2-Acetylthiophene semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.72000
• Density: 1.36g/cm³
• LogP: 2.23160
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.04663309
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

1-(2-THIENYL)ETHANONE SEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=O)N)C1=CC=CS1
• General Description: (1-Thiophen-2-ylethylideneamino)urea, also known as 2-acetylthiophene semicarbazone, is a semicarbazone derivative formed by the condensation of 2-acetylthiophene with semicarbazide. It acts as a monobasic bidentate ligand, coordinating to metal ions (such as Cr(III), Pd(II), Pt(II), Rh(III), Ir(III), and Ru(III)) through nitrogen and oxygen donors, often resulting in octahedral or square planar complexes. These metal complexes exhibit enhanced antimicrobial activity compared to the free ligand, demonstrating potential as antibacterial agents against strains like *B. macerans*, *A. aureus*, and *E. coli*. The ligand and its complexes have been characterized using spectroscopic and analytical techniques, confirming their structural and coordination properties.

Technology Process of 2-Acetylthiophene semicarbazone

There total 2 articles about 2-Acetylthiophene semicarbazone 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: 89.0%

2-Acetylthiophene (88-15-3,97511-16-5) + semicarbazide hydrochloride (563-41-7) → 2-acetylthiophene semicarbazone (3771-70-8)

Guidance literature:

With sodium acetate; In ethanol; for 0.1h; Microwave irradiation;

Reference yield:

semicarbazide hydrochloride (563-41-7) → 2-acetylthiophene semicarbazone (3771-70-8)

Guidance literature:

With ethanol; sodium acetate;

Reference yield: 98.0%

2-acetylthiophene semicarbazone (3771-70-8) → 2-Acetylthiophene (88-15-3,97511-16-5)

Guidance literature:

With 1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione; In acetonitrile; at 20 ℃; for 4.5h;

DOI:10.1007/s00706-011-0649-5

upstream raw materials:

2-Acetylthiophene

semicarbazide hydrochloride

Downstream raw materials:

3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde

Sb(C₆H₅)2C₇H₈N₃OS

2-Acetylthiophene

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