Cas no 337508-71-1 (2,3-dihydro-1,4-benzodioxine-6-carbothioamide)
2,3-dihydro-1,4-benzodioxine-6-carbothioamide Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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 Customs Data
- HS CODE:2932999099
- Customs Data:
China Customs Code:
2932999099Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM128344-1g |
2,3-dihydrobenzo[b][1,4]dioxine-6-carbothioamide |
337508-71-1 | 95% | 1g |
$333 | 2021-06-09 | |
| Alichem | A019094367-1g |
2,3-Dihydrobenzo[b][1,4]dioxine-6-carbothioamide |
337508-71-1 | 95% | 1g |
$400.00 | 2023-09-02 | |
| Chemenu | CM128344-1g |
2,3-dihydrobenzo[b][1,4]dioxine-6-carbothioamide |
337508-71-1 | 95% | 1g |
$*** | 2023-05-30 | |
| TRC | D458148-10mg |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D458148-50mg |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 50mg |
$ 70.00 | 2022-06-05 | ||
| TRC | D458148-100mg |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 100mg |
$ 115.00 | 2022-06-05 | ||
| abcr | AB225782-1 g |
2,3-Dihydro-1,4-benzodioxine-6-carbothioamide, 95%; . |
337508-71-1 | 95% | 1 g |
€146.60 | 2023-07-20 | |
| Enamine | EN300-73916-0.05g |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 95% | 0.05g |
$64.0 | 2023-02-12 | |
| Enamine | EN300-73916-0.1g |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 95% | 0.1g |
$66.0 | 2023-02-12 | |
| Enamine | EN300-73916-0.25g |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide |
337508-71-1 | 95% | 0.25g |
$92.0 | 2023-02-12 |
2,3-dihydro-1,4-benzodioxine-6-carbothioamide Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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