Cas no 337508-71-1 (2,3-dihydro-1,4-benzodioxine-6-carbothioamide)

2,3-Dihydro-1,4-benzodioxine-6-carbothioamide is a heterocyclic compound featuring a benzodioxine core functionalized with a carbothioamide group. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical research. The carbothioamide moiety enhances its utility as a precursor for thiazole and other sulfur-containing heterocycles, which are prominent in medicinal chemistry. Its rigid benzodioxine scaffold contributes to stability and potential bioactivity, particularly in CNS-targeting applications. The compound’s well-defined synthetic pathway allows for high purity and reproducibility, supporting its use in method development and structure-activity relationship studies. Its balanced lipophilicity further aids in drug design for improved bioavailability.
2,3-dihydro-1,4-benzodioxine-6-carbothioamide structure
337508-71-1 structure
Product Name:2,3-dihydro-1,4-benzodioxine-6-carbothioamide
CAS No:337508-71-1
MF:C9H9NO2S
MW:195.238260984421
MDL:MFCD02682020
CID:303474
PubChem ID:2779645
Update Time:2025-06-14

2,3-dihydro-1,4-benzodioxine-6-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbothioamide
    • 1,4-Benzodioxin-6-carbothioamide,2,3-dihydro-
    • 2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOTHIOAMIDE
    • 2,3-DIAMINO-6-METHOXYPYRIDINE DIHYDROCHLORIDE
    • 2,3-Dihydro-1,4-benzodioxin-6-carbothioamide
    • SR-01000644600-1
    • EN300-73916
    • SCHEMBL16526944
    • DTXSID00381482
    • 337508-71-1
    • AKOS009157480
    • A851602
    • CS-0259690
    • Oprea1_728291
    • FT-0609638
    • 2,3-dihydro-1,4-benzodioxine-6-carbothioamide, AldrichCPR
    • MFCD02682020
    • CCG-55582
    • G34496
    • 2,3-dihydro-1,4-benzodioxine-6-carbothioamide
    • MDL: MFCD02682020
    • Inchi: 1S/C9H9NO2S/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-2,5H,3-4H2,(H2,10,13)
    • InChI Key: IVHHEZXXQRXOCK-UHFFFAOYSA-N
    • SMILES: S=C(C1C=CC2=C(C=1)OCCO2)N

Computed Properties

  • Exact Mass: 195.03500
  • Monoisotopic Mass: 195.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 210
  • 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: 0.3
  • Topological Polar Surface Area: 76.6?2

Experimental Properties

  • Density: 1.347±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 140.2 °C
  • Boiling Point: 339.2°C at 760 mmHg
  • Flash Point: 158.9°C
  • Refractive Index: 1.655
  • Solubility: Very slightly soluble (0.86 g/l) (25 o C),
  • PSA: 76.57000
  • LogP: 1.79230

2,3-dihydro-1,4-benzodioxine-6-carbothioamide Security Information

  • Hazard Category Code: R20/21/22
  • Safety Instruction: S36/37
  • Hazardous Material Identification: Xn
  • Storage Condition:Sealed in dry,2-8°C
  • Risk Phrases:R20/21/22
  • Safety Term:S36/37

2,3-dihydro-1,4-benzodioxine-6-carbothioamide Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,3-dihydro-1,4-benzodioxine-6-carbothioamide Pricemore >>

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2,3-dihydro-1,4-benzodioxine-6-carbothioamide Related Literature

Additional information on 2,3-dihydro-1,4-benzodioxine-6-carbothioamide

Comprehensive Overview of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide (CAS No. 337508-71-1)

2,3-Dihydro-1,4-benzodioxine-6-carbothioamide, with the CAS number 337508-71-1, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the benzodioxine family, characterized by a fused benzene ring and a dioxane moiety. Its unique carbothioamide functional group makes it a versatile intermediate in synthetic chemistry, particularly in the development of novel bioactive molecules. Researchers are increasingly exploring its potential applications due to its structural similarity to other heterocyclic compounds with known therapeutic properties.

In recent years, the demand for 2,3-dihydro-1,4-benzodioxine derivatives has surged, driven by their relevance in drug discovery and material science. The compound’s CAS no. 337508-71-1 is frequently searched in academic databases and patent filings, reflecting its growing importance. One of the key reasons for this interest is its potential role in modulating enzymatic activity, which aligns with current trends in targeted therapy and precision medicine. Additionally, its thioamide group offers unique reactivity, enabling the synthesis of sulfur-containing analogs with enhanced bioavailability.

The structural features of 2,3-dihydro-1,4-benzodioxine-6-carbothioamide also make it a candidate for green chemistry applications. With sustainability becoming a focal point in chemical research, this compound’s potential for catalytic transformations and biodegradable materials is under investigation. Its benzodioxine core is structurally similar to naturally occurring lignans, which are known for their antioxidant and anti-inflammatory properties. This similarity has sparked interest in its use for nutraceutical and cosmeceutical formulations, addressing the rising consumer demand for natural and eco-friendly products.

From a synthetic perspective, the compound’s carbothioamide group allows for diverse functionalization, making it a valuable building block in medicinal chemistry. Recent studies highlight its utility in constructing small-molecule inhibitors for enzymes involved in metabolic disorders. For instance, its derivatives have shown promise in modulating kinase activity, a hot topic in oncology research. This aligns with the broader trend of exploring heterocyclic scaffolds for drug repurposing, a strategy gaining traction due to its cost-effectiveness and faster development timelines.

Another area where CAS no. 337508-71-1 is making waves is in agrochemical innovation. The compound’s benzodioxine backbone is structurally akin to certain plant-derived defense molecules, suggesting potential applications in crop protection. Researchers are investigating its derivatives as eco-friendly pesticide alternatives, responding to the global push for reducing synthetic pesticide use. This resonates with the increasing public concern over environmental health and food safety, making it a timely subject of study.

In conclusion, 2,3-dihydro-1,4-benzodioxine-6-carbothioamide (CAS No. 337508-71-1) is a multifaceted compound with broad applicability across pharmaceuticals, agrochemicals, and sustainable chemistry. Its structural versatility and alignment with current research trends ensure its continued relevance in scientific exploration. As the demand for innovative heterocycles and bioactive intermediates grows, this compound is poised to play a pivotal role in shaping future advancements in these fields.

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