Cas no 104076-80-4 (2-chloro-5,6-dimethyl-1,3-benzothiazole)
2-Chloro-5,6-dimethyl-1,3-benzothiazole is a heterocyclic compound featuring a benzothiazole core substituted with chloro and methyl functional groups. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The chloro group enhances electrophilic substitution potential, while the methyl substituents influence steric and electronic properties, allowing for selective modifications. Its stability under standard conditions and compatibility with various reaction conditions further contribute to its utility in multi-step synthetic routes. The compound is commonly employed in the preparation of biologically active molecules, including potential therapeutic agents and functional materials.
104076-80-4 structure
Product Name:2-chloro-5,6-dimethyl-1,3-benzothiazole
CAS No:104076-80-4
MF:C9H8ClNS
MW:197.684519767761
MDL:MFCD09743042
CID:126013
PubChem ID:21985841
Update Time:2025-10-29
2-chloro-5,6-dimethyl-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 2-chloro-5,6-dimethyl- (9CI)
- Benzothiazole, 2-chloro-5,6-diMethyl-
- 2-chloro-5,6-dimethyl-1,3-benzothiazole
- ACMC-20m6ut
- CTK0H2525
- F1908-0038
- MolPort-004-750-764
- SureCN1748026
- 2-Chloro-5,6-dimethylbenzo[d]thiazole, 97%
- 104076-80-4
- DTXSID10621200
- EN300-238429
- 2-chloro-5,6-dimethylbenzo[d]thiazole
- MFCD09743042
- AKOS005208483
- SY065328
- SCHEMBL1748026
- DB-274794
-
- MDL： MFCD09743042
- Inchi： 1S/C9H8ClNS/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3
- InChI Key： XODBBWCMOHPBMI-UHFFFAOYSA-N
- SMILES： ClC1=NC2C=C(C)C(C)=CC=2S1
Computed Properties
- Exact Mass: 197.00674
- Monoisotopic Mass: 197.0065981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.1
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
- LogP: 3.56650
2-chloro-5,6-dimethyl-1,3-benzothiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM484749-1g |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 1g |
$993 | 2023-11-26 | |
| Chemenu | CM484749-100mg |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 100mg |
$247 | 2023-11-26 | |
| Chemenu | CM484749-250mg |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 250mg |
$361 | 2023-11-26 | |
| Alichem | A059003711-5g |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 5g |
$483.48 | 2023-09-04 | |
| Alichem | A059003711-10g |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 10g |
$731.88 | 2023-09-04 | |
| Alichem | A059003711-25g |
2-Chloro-5,6-dimethylbenzo[d]thiazole |
104076-80-4 | 97% | 25g |
$1313.52 | 2023-09-04 | |
| TRC | C383105-10mg |
2-Chloro-5,6-dimethyl-1,3-benzothiazole |
104076-80-4 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C383105-50mg |
2-Chloro-5,6-dimethyl-1,3-benzothiazole |
104076-80-4 | 50mg |
$ 135.00 | 2022-06-06 | ||
| TRC | C383105-100mg |
2-Chloro-5,6-dimethyl-1,3-benzothiazole |
104076-80-4 | 100mg |
$ 230.00 | 2022-06-06 | ||
| Enamine | EN300-238429-0.05g |
2-chloro-5,6-dimethyl-1,3-benzothiazole |
104076-80-4 | 95% | 0.05g |
$948.0 | 2024-06-19 |
2-chloro-5,6-dimethyl-1,3-benzothiazole Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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