Cas no 101858-00-8 (2-Benzothiazolecarbonitrile,5,6-dimethoxy-)
2-Benzothiazolecarbonitrile,5,6-dimethoxy- is a specialized heterocyclic compound featuring a benzothiazole core substituted with a nitrile group at the 2-position and methoxy groups at the 5- and 6-positions. This structure imparts unique electronic and steric properties, making it valuable in organic synthesis and pharmaceutical research. The electron-withdrawing nitrile group enhances reactivity in nucleophilic substitution reactions, while the dimethoxy substituents can influence solubility and binding interactions. Its well-defined molecular framework is advantageous for developing agrochemicals, dyes, or bioactive molecules. The compound’s high purity and stability further support its utility in precision applications requiring consistent performance.
101858-00-8 structure
Product Name:2-Benzothiazolecarbonitrile,5,6-dimethoxy-
CAS No:101858-00-8
MF:C10H8N2O2S
MW:220.247720718384
CID:124768
PubChem ID:23050242
Update Time:2025-06-08
2-Benzothiazolecarbonitrile,5,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,5,6-dimethoxy-
- 2-Benzothiazolecarbonitrile,5,6-dimethoxy-(9CI)
- SCHEMBL10401282
- 101858-00-8
- 5,6-Dimethoxybenzo[d]thiazole-2-carbonitrile
- 5,6-DIMETHOXY-1,3-BENZOTHIAZOLE-2-CARBONITRILE
-
- Inchi： 1S/C10H8N2O2S/c1-13-7-3-6-9(4-8(7)14-2)15-10(5-11)12-6/h3-4H,1-2H3
- InChI Key： YGQPKDRNTSMOAW-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2C=C(C(=CC1=2)OC)OC
Computed Properties
- Exact Mass: 220.03074
- Monoisotopic Mass: 220.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 83.4A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 55.14
2-Benzothiazolecarbonitrile,5,6-dimethoxy- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM484255-1g |
5,6-Dimethoxybenzo[d]thiazole-2-carbonitrile |
101858-00-8 | 97% | 1g |
$761 | 2022-12-31 |
2-Benzothiazolecarbonitrile,5,6-dimethoxy- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
101858-00-8 (2-Benzothiazolecarbonitrile,5,6-dimethoxy-) Related Products
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