Cas no 155731-14-9 (5-Chlorothiophene-2-sulfonic acid tert-butylamide)

5-Chlorothiophene-2-sulfonic acid tert-butylamide is a specialized sulfonamide derivative featuring a chlorinated thiophene core. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The tert-butylamide moiety enhances steric hindrance, potentially improving selectivity in coupling reactions. Its chlorothiophene backbone offers reactivity for further functionalization, making it valuable in heterocyclic chemistry. The sulfonic acid tert-butylamide group contributes to solubility modulation and stability under various reaction conditions. This compound is typically handled under controlled conditions due to its reactive functional groups. Its structural features make it a versatile building block for constructing complex molecules in medicinal and materials chemistry research.
5-Chlorothiophene-2-sulfonic acid tert-butylamide structure
155731-14-9 structure
Product Name:5-Chlorothiophene-2-sulfonic acid tert-butylamide
CAS No:155731-14-9
MF:C8H12ClNO2S2
MW:253.769378662109
MDL:MFCD05086586
CID:65418
PubChem ID:10106323
Update Time:2025-05-22

5-Chlorothiophene-2-sulfonic acid tert-butylamide Chemical and Physical Properties

Names and Identifiers

    • 5-Chlorothiophene-2-sulfonic acid tert-butylamide
    • N-tert-Butyl-5-chlorothiophene sulfonamide
    • N-(tert-Butyl)-5-chlorothiophene-2-sulfonamide
    • N-(tert-Butyl)-5-chlorothiophene-2-sulphonamide
    • 5-Chloro-N-tert-butyl-2-thiophenesulfonamide
    • N-tert-Butyl 5-Chloro-2-thiophenesulfonamide
    • N-tert-butyl-5-chlorothiophene-2-sulfonamide
    • 5-Chloro-N-tert-butyl-2-thiophene-sulfonamide
    • 5-CHLOROTHIOPHENE-2-SULFONICACIDTERT-BUTYLAMIDE
    • 2-Thiophenesulfonamide, 5-chloro-N-(1,1-dimethylethyl)-
    • 5-Chloro-thioph
    • AMY31346
    • SCHEMBL1523222
    • MFCD05086586
    • EN300-196001
    • FT-0659965
    • (tert-butyl)[(5-chloro(2-thienyl))sulfonyl]amine
    • 5-Chloro-thiophene-2-sulfonic acid tert-butylamide
    • VPZSRWXWBIVADA-UHFFFAOYSA-N
    • DTXSID20435734
    • C8H12ClNO2S2
    • 155731-14-9
    • AKOS003835300
    • SY007543
    • W-205789
    • AC-3588
    • CS-W003224
    • CL1307
    • AS-17547
    • DB-003999
    • 5-Fluoro-2-hydroxymethylbenzimidazole
    • MDL: MFCD05086586
    • Inchi: 1S/C8H12ClNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
    • InChI Key: VPZSRWXWBIVADA-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(S1)S(NC(C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 253.00000
  • Monoisotopic Mass: 252.9997987g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 291
  • 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
  • Topological Polar Surface Area: 82.8
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.328
  • Melting Point: 52-58°C
  • Boiling Point: 349°C at 760 mmHg
  • Flash Point: 164.9℃
  • Refractive Index: 1.548
  • PSA: 82.79000
  • LogP: 3.95000

5-Chlorothiophene-2-sulfonic acid tert-butylamide Security Information

5-Chlorothiophene-2-sulfonic acid tert-butylamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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5-Chlorothiophene-2-sulfonic acid tert-butylamide Production Method

Additional information on 5-Chlorothiophene-2-sulfonic acid tert-butylamide

Comprehensive Analysis of 5-Chlorothiophene-2-sulfonic acid tert-butylamide (CAS No. 155731-14-9): Properties, Applications, and Industry Insights

The chemical compound 5-Chlorothiophene-2-sulfonic acid tert-butylamide (CAS No. 155731-14-9) is a specialized sulfonamide derivative with a unique molecular structure combining a thiophene ring and a tert-butylamide group. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its potential as a building block for bioactive molecules. Its chlorothiophene core provides distinct electronic properties, making it valuable for designing heterocyclic compounds with tailored functionalities.

In recent years, the demand for sulfur-containing heterocycles like 5-Chlorothiophene-2-sulfonic acid tert-butylamide has surged, driven by their applications in drug discovery and material science. Researchers frequently search for "thiophene derivatives in medicinal chemistry" or "sulfonamide synthesis methods," reflecting the compound's relevance in modern synthetic workflows. Its CAS No. 155731-14-9 serves as a critical identifier for procurement and regulatory documentation.

The compound's physicochemical properties include moderate solubility in polar organic solvents, a characteristic melting point range, and stability under standard storage conditions. These traits make it suitable for multi-step organic synthesis, particularly in constructing biaryl ethers or enzyme inhibitors. Industry professionals often inquire about "scale-up procedures for chlorothiophene intermediates" or "tert-butylamide protecting group strategies," highlighting its practical utility.

Emerging trends in green chemistry have prompted investigations into eco-friendly synthesis routes for 5-Chlorothiophene-2-sulfonic acid tert-butylamide. Questions like "catalytic approaches to sulfonamide formation" dominate academic discussions, aligning with the global push for sustainable manufacturing. The compound's molecular weight and logP value also make it a candidate for computational chemistry studies, particularly in QSAR modeling.

From a commercial perspective, suppliers emphasize the compound's role as a high-purity intermediate. Analytical techniques such as HPLC and NMR are routinely employed to verify its structural integrity, addressing common customer queries about "certification of thiophene-based chemicals." The tert-butylamide moiety's steric bulk contributes to selective reactivity patterns, a feature exploited in asymmetric synthesis protocols.

Ongoing research explores the compound's potential in electronic materials, where its conjugated system could enable applications in organic semiconductors. This interdisciplinary angle responds to frequent searches about "thiophene units in OLED materials." Regulatory databases list CAS 155731-14-9 with standard handling guidelines, ensuring compliance with international laboratory safety standards.

In conclusion, 5-Chlorothiophene-2-sulfonic acid tert-butylamide represents a versatile chemical entity bridging multiple scientific domains. Its continued prominence in patent literature and custom synthesis requests underscores its importance as a research enabler across academic and industrial settings.

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