Cas no 876500-74-2 (5-TRIFLUOROMETHOXYBENZOTHIAZOLE)
5-Trifluoromethoxybenzothiazole is a fluorinated benzothiazole derivative characterized by the presence of a trifluoromethoxy (–OCF?) substituent. This compound is of interest in pharmaceutical and agrochemical research due to the electron-withdrawing and lipophilic properties imparted by the trifluoromethoxy group, which can enhance metabolic stability and bioavailability. Its benzothiazole core serves as a versatile scaffold in medicinal chemistry, often utilized in the development of bioactive molecules. The compound's unique structural features make it a valuable intermediate for synthesizing heterocyclic compounds with potential applications in drug discovery and material science. Handling requires standard safety precautions due to its organic and fluorinated nature.
876500-74-2 structure
Product Name:5-TRIFLUOROMETHOXYBENZOTHIAZOLE
CAS No:876500-74-2
MF:C8H4F3NOS
MW:219.18367099762
MDL:MFCD06659662
CID:891261
PubChem ID:71433167
Update Time:2025-10-21
5-TRIFLUOROMETHOXYBENZOTHIAZOLE Chemical and Physical Properties
Names and Identifiers
-
- 5-TRIFLUOROMETHOXYBENZOTHIAZOLE
- 5-(Trifluoromethoxy)benzothiazole (ACI)
- SCHEMBL21536794
- 5-(trifluoromethoxy)-1,3-benzothiazole
- BS-44472
- 5-(trifluoromethoxy) benzo[d]thiazole
- E74439
- CS-0457710
- 876500-74-2
- MFCD06659662
- DB-350091
- KUZWMMJBAFVTFG-UHFFFAOYSA-N
- 5-(trifluoromethoxy)benzo[d]thiazole
-
- MDL： MFCD06659662
- Inchi： 1S/C8H4F3NOS/c9-8(10,11)13-5-1-2-7-6(3-5)12-4-14-7/h1-4H
- InChI Key： KUZWMMJBAFVTFG-UHFFFAOYSA-N
- SMILES： FC(OC1C=C2C(SC=N2)=CC=1)(F)F
Computed Properties
- Exact Mass: 218.99700
- Monoisotopic Mass: 218.99656941g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 3.2
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.36000
- LogP: 3.19490
5-TRIFLUOROMETHOXYBENZOTHIAZOLE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A113372-100mg |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 100mg |
$24.0 | 2025-04-16 | |
| Ambeed | A113372-250mg |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 250mg |
$42.0 | 2025-04-16 | |
| Ambeed | A113372-1g |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 1g |
$158.0 | 2025-04-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1528377-100mg |
5-(Trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 100mg |
￥354.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1528377-250mg |
5-(Trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 250mg |
￥626.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1528377-1g |
5-(Trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 1g |
￥2878.00 | 2024-04-27 | |
| Chemenu | CM527104-100mg |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 100mg |
$*** | 2023-05-29 | |
| Chemenu | CM527104-250mg |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 250mg |
$*** | 2023-05-29 | |
| Chemenu | CM527104-1g |
5-(trifluoromethoxy)benzo[d]thiazole |
876500-74-2 | 98% | 1g |
$*** | 2023-05-29 | |
| A2B Chem LLC | AH85012-100mg |
5-TRIFLUOROMETHOXYBENZOTHIAZOLE |
876500-74-2 | ≥97.0% | 100mg |
$81.00 | 2023-12-29 |
5-TRIFLUOROMETHOXYBENZOTHIAZOLE Related Literature
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
876500-74-2 (5-TRIFLUOROMETHOXYBENZOTHIAZOLE) Related Products
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