Cas no 201611-85-0 (2-Cyanopropan-2-YL benzodithioate)
2-Cyanopropan-2-YL benzodithioate Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbodithioicacid, 1-cyano-1-methylethyl ester
- 2-Cyano-2-propyl benzodithioate
- 2-Cyanoprop-2-yl Dithiobenzoate
- 2-cyanopropan-2-yl benzenecarbodithioate
- 2-CYANOPROPAN-2-YL BENZODITHIOATE
- 2-Cyanopropan-2-yl-benzodithioate
- 1-cyano-1-methylethyl benzenecarbodithioate
- 1-cyano-1-methylethyl dithiobenzoate
- 2-cyanopropan-2-yl dithiobenzoate
- 1-Cyano-1-methylethyldithiobenzoate
- BENZENECARBODITHIOIC ACID, 1-CYANO-1-METHYLETHYL ESTER
- 2-(BENZENECARBOTHIOYLSULFANYL)-2-METHYLPROPANENITRILE
- PubChem12683
- 2-Cyanoprop-2-yl-dithiobenzoate
- 9532AF
- SC10816
- EN001006
- FT-
- Benzenecarbodithioic acid 1-cyano-1-methylethyl ester
- A814295
- AKOS015891260
- 2-CYANOPROPAN-2-ylbenZODITHIOATE
- NS00015583
- CS-0006572
- F17744
- AS-69566
- FT-0648471
- AMY41104
- SY058332
- MFCD09037881
- BIA61185
- C3548
- benzenecarbodithioic acid 2-cyanopropan-2-yl ester
- SCHEMBL237868
- DTXSID30433403
- 201611-85-0
- 2-Cyano-2-propyl benzodithioate, >97% (HPLC)
- DB-312063
- 2-Cyanopropan-2-YL benzodithioate
-
- MDL: MFCD09037881
- Inchi: 1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3
- InChI Key: IDSLBLWCPSAZBL-UHFFFAOYSA-N
- SMILES: S(C(C1C=CC=CC=1)=S)C(C#N)(C)C
Computed Properties
- Exact Mass: 221.03300
- Monoisotopic Mass: 221.03329170g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 256
- 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: 81.2
- XLogP3: 3.3
Experimental Properties
- Density: 1.146?g/mL?at 25?°C
- Melting Point: 28-31?°C
- Boiling Point: 341 oC
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C - Refractive Index: n20/D 1.621
- PSA: 81.18000
- LogP: 3.39748
- Sensitiveness: light sensitive, store cold
2-Cyanopropan-2-YL benzodithioate Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
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%
2-Cyanopropan-2-YL benzodithioate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 16-0430-2g |
2-Cyanopropan-2-YL benzodithioate |
201611-85-0 | min.97% | 2g |
2265CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 16-0430-500mg |
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201611-85-0 | min.97% | 500mg |
755CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 16-0430-10g |
2-Cyanopropan-2-YL benzodithioate |
201611-85-0 | min.97% | 10g |
6925CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-VH968-200mg |
2-Cyanoprop-2-yl-dithiobenzoate,min.97% |
201611-85-0 | >97% (HPLC) | 200mg |
¥303.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-VH968-1g |
2-Cyanoprop-2-yl-dithiobenzoate,min.97% |
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¥854.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-VH968-5g |
2-Cyanoprop-2-yl-dithiobenzoate,min.97% |
201611-85-0 | >97% (HPLC) | 5g |
¥3345.0 | 2022-06-09 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C885875-1g |
2-Cyano-2-propyl benzodithioate |
201611-85-0 | >97% (HPLC) | 1g |
¥949.00 | 2022-09-02 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 722987-1G |
2-Cyanopropan-2-YL benzodithioate |
201611-85-0 | 1g |
¥1557.93 | 2023-11-26 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 722987-5G |
2-Cyanopropan-2-YL benzodithioate |
201611-85-0 | 5g |
¥5646.59 | 2023-11-26 | ||
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | 600338-2g |
2-Cyanopropan-2-YL benzodithioate |
201611-85-0 | 97% | 2g |
¥1100.0 | 2023-09-15 |
2-Cyanopropan-2-YL benzodithioate Suppliers
2-Cyanopropan-2-YL benzodithioate Related Literature
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Aurélie Destephen,Estibaliz González de San Román,Nicholas Ballard Polym. Chem. 2022 13 1739
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Additional information on 2-Cyanopropan-2-YL benzodithioate
Professional Introduction to 2-Cyanopropan-2-yl benzodithioate (CAS No. 201611-85-0)
2-Cyanopropan-2-yl benzodithioate, with the chemical identifier CAS No. 201611-85-0, is a compound of significant interest in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered attention for its potential applications in various scientific domains. The molecular structure of 2-Cyanopropan-2-yl benzodithioate consists of a benzene ring substituted with two thioate groups and an alkyne moiety, which contributes to its distinctive reactivity and utility in synthetic chemistry.
The synthesis and characterization of 2-Cyanopropan-2-yl benzodithioate have been the subject of extensive studies in recent years. Researchers have explored various synthetic pathways to optimize the yield and purity of this compound, leveraging advanced techniques such as transition metal catalysis and organometallic chemistry. These efforts have not only improved the accessibility of the compound but also opened new avenues for its application in drug discovery and material science.
In the realm of pharmaceutical research, 2-Cyanopropan-2-yl benzodithioate has shown promise as a key intermediate in the development of novel therapeutic agents. Its bifunctional nature, featuring both a cyano group and a dithioate moiety, makes it a versatile building block for designing molecules with specific biological activities. Recent studies have highlighted its role in the synthesis of small-molecule inhibitors targeting various disease pathways, including cancer and inflammatory disorders.
The biological activity of 2-Cyanopropan-2-yl benzodithioate has been extensively investigated in vitro and in vivo. Preliminary findings suggest that this compound exhibits inhibitory effects on certain enzymes and receptors implicated in pathological processes. For instance, research indicates that derivatives of 2-Cyanopropan-2-yl benzodithioate may interfere with the activity of proteases involved in tumor progression, offering a potential therapeutic strategy for oncology applications.
Beyond its pharmaceutical applications, 2-Cyanopropan-2-yl benzodithioate has also been explored in material science, particularly in the development of advanced polymers and coatings. The presence of reactive thioate groups allows for cross-linking reactions, enhancing the mechanical strength and durability of materials. This property makes it valuable in industries requiring high-performance materials, such as aerospace and automotive sectors.
The environmental impact of 2-Cyanopropan-2-yl benzodithioate has also been a focus of research. Studies have assessed its degradation pathways and ecotoxicological profile to ensure safe handling and disposal practices. These efforts are crucial in maintaining compliance with regulatory standards while promoting sustainable chemical practices.
In conclusion, 2-Cyanopropan-2-yl benzodithioate (CAS No. 201611-85-0) is a multifaceted compound with broad applications across pharmaceuticals and materials science. Its unique structural features enable diverse functionalizations, making it a valuable asset in synthetic chemistry. As research continues to uncover new possibilities, this compound is poised to play an increasingly significant role in advancing scientific and industrial innovations.
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