Cas no 3622-48-8 (Benzothiazole,5-methyl-2-(methylthio)-)
Benzothiazole,5-methyl-2-(methylthio)- is a heterocyclic organic compound featuring a benzothiazole core substituted with a methyl group at the 5-position and a methylthio group at the 2-position. This structure imparts unique chemical properties, making it valuable in synthetic organic chemistry and industrial applications. The compound exhibits stability under various conditions and serves as a versatile intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty chemicals. Its electron-rich aromatic system allows for selective functionalization, enabling tailored modifications for specific applications. The presence of the methylthio group enhances reactivity in nucleophilic substitution reactions, broadening its utility in fine chemical synthesis. Proper handling and storage are recommended due to its potential sensitivity to light and moisture.
3622-48-8 structure
Product Name:Benzothiazole,5-methyl-2-(methylthio)-
CAS No:3622-48-8
MF:C9H9NS2
MW:195.30445933342
CID:296118
PubChem ID:10655478
Update Time:2025-06-09
Benzothiazole,5-methyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,5-methyl-2-(methylthio)-
- Benzothiazole, 5-methyl-2-(methylthio)- (7CI,8CI,9CI)
- 5-methyl-2-methyulthiobenzothiazole
- 3622-48-8
- 5-Methyl-2-(methylthio)benzo[d]thiazole
-
- Inchi: 1S/C9H9NS2/c1-6-3-4-8-7(5-6)10-9(11-2)12-8/h3-5H,1-2H3
- InChI Key: ZQSCHWFUWXOGSH-UHFFFAOYSA-N
- SMILES: S1C(=NC2C=C(C)C=CC1=2)SC
Computed Properties
- Exact Mass: 195.01777
- Monoisotopic Mass: 195.01764164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 3.5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 12.89
Benzothiazole,5-methyl-2-(methylthio)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A059003703-5g |
5-Methyl-2-(methylthio)benzo[d]thiazole |
3622-48-8 | 97% | 5g |
$781.22 | 2023-09-02 | |
| Alichem | A059003703-10g |
5-Methyl-2-(methylthio)benzo[d]thiazole |
3622-48-8 | 97% | 10g |
$1055.25 | 2023-09-02 | |
| Alichem | A059003703-25g |
5-Methyl-2-(methylthio)benzo[d]thiazole |
3622-48-8 | 97% | 25g |
$1656.24 | 2023-09-02 | |
| Chemenu | CM518973-1g |
5-Methyl-2-(methylthio)benzo[d]thiazole |
3622-48-8 | 97% | 1g |
$*** | 2023-05-30 |
Benzothiazole,5-methyl-2-(methylthio)- Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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