Cas no 14580-30-4 (4-(2,5-Dichlorophenyl)-3-thiosemicarbazide)

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide is a specialized organic compound featuring a thiosemicarbazide moiety linked to a dichlorophenyl group. Its structure imparts unique reactivity, making it valuable in synthetic chemistry, particularly as a precursor for heterocyclic compounds and coordination complexes. The dichlorophenyl substitution enhances its stability and influences electronic properties, while the thiosemicarbazide group offers versatile binding capabilities for metal ions. This compound is commonly utilized in pharmaceutical and agrochemical research for developing biologically active derivatives. Its well-defined structure and functional groups enable precise modifications, supporting applications in medicinal chemistry and material science. High purity and consistent performance make it a reliable intermediate for advanced synthetic routes.
4-(2,5-Dichlorophenyl)-3-thiosemicarbazide structure
14580-30-4 structure
Product Name:4-(2,5-Dichlorophenyl)-3-thiosemicarbazide
CAS No:14580-30-4
MF:C7H7Cl2N3S
MW:236.121577501297
MDL:MFCD00041273
CID:135468
PubChem ID:2758211
Update Time:2025-10-31

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide Chemical and Physical Properties

Names and Identifiers

    • Hydrazinecarbothioamide,2-(2,5-dichlorophenyl)-
    • 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide
    • 2,5-DICHLOROPHENYLTHIOSEMICARBAZIDE
    • BDBM50019778
    • 4-(2,5-dichlorophenyl)-3-thiosemicarbazide, AldrichCPR
    • MFCD00041273
    • A808415
    • AKOS009264934
    • CHEMBL3286607
    • FT-0682080
    • 14580-30-4
    • 3-amino-1-(2,5-dichlorophenyl)thiourea
    • 1-azanyl-3-[2,5-bis(chloranyl)phenyl]thiourea
    • 1-amino-3-(2,5-dichlorophenyl)thiourea
    • N-(2,5-Dichlorophenyl)hydrazinecarboximidothioic acid
    • DTXSID60932696
    • MDL: MFCD00041273
    • Inchi: 1S/C7H7Cl2N3S/c8-4-1-2-5(9)6(3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
    • InChI Key: XBDSQQOEXKOZJQ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1NC(NN)=S)Cl

Computed Properties

  • Exact Mass: 234.97400
  • Monoisotopic Mass: 234.9737738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 82.2?2

Experimental Properties

  • Melting Point: 167-169°C (dec.)
  • PSA: 82.17000
  • LogP: 3.31770

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide Security Information

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide Pricemore >>

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Additional information on 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide

Comprehensive Overview of 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide (CAS No. 14580-30-4)

4-(2,5-Dichlorophenyl)-3-thiosemicarbazide (CAS No. 14580-30-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This thiosemicarbazide derivative features a dichlorophenyl moiety, which contributes to its reactivity and potential applications. Researchers are increasingly exploring its role in drug discovery and material science, aligning with current trends in sustainable chemistry and green synthesis.

The compound's molecular structure, characterized by the presence of chlorine atoms and a thiosemicarbazide group, makes it a versatile intermediate in organic synthesis. Recent studies highlight its potential as a building block for designing novel antimicrobial agents and enzyme inhibitors, addressing global concerns about antibiotic resistance. Its heterocyclic framework also aligns with the growing demand for bioactive compounds in the pharmaceutical industry.

From an analytical perspective, 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide exhibits distinct spectroscopic properties, making it identifiable via NMR and mass spectrometry. This feature is critical for quality control in industrial applications, particularly in the synthesis of specialty chemicals. The compound's stability under various pH conditions further enhances its utility in formulation development, a topic frequently searched by researchers in process chemistry forums.

Environmental considerations are paramount in modern chemical research, and this compound's degradation pathways have been investigated to ensure compliance with green chemistry principles. Its low volatility and moderate solubility in water make it suitable for aqueous-phase reactions, a key area of interest for eco-friendly synthesis methods. These attributes respond to frequent queries about sustainable chemical alternatives in academic and industrial circles.

In material science, the crystallographic properties of CAS No. 14580-30-4 have been studied for potential applications in organic electronics. The compound's ability to form hydrogen-bonded networks may contribute to the development of molecular sensors, addressing trending searches about smart materials. This interdisciplinary potential makes it a subject of interest in both chemical engineering and nanotechnology communities.

Safety profiles of 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide have been thoroughly documented, with emphasis on proper laboratory handling procedures. While not classified as hazardous under standard conditions, researchers frequently search for compatibility data with common solvents and reagents, which has been extensively published in chemical safety databases. This information supports the compound's growing use in high-throughput screening applications.

The commercial availability of CAS 14580-30-4 through major chemical suppliers has facilitated its adoption in various research programs. Current market trends show increasing demand for this fine chemical, particularly in regions with active pharmaceutical R&D sectors. Analytical certificates typically confirm its high purity (>98%), meeting stringent requirements for preclinical studies and method development.

Future research directions for this compound may explore its structure-activity relationships in greater depth, particularly in medicinal chemistry applications. The scientific community continues to investigate its potential as a scaffold molecule for designing new therapeutic agents, responding to persistent searches about innovative drug candidates. These developments position 4-(2,5-Dichlorophenyl)-3-thiosemicarbazide as a compound of enduring scientific interest.

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