Benzothiazole, 2,5-dimethyl-
TL;DR: Benzothiazole, 2,5-dimethyl- (CAS 95-26-1) is a chemical compound with molecular formula C9H9NS and molecular weight 163.04558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1,3-benzothiazole
Also Known As: 2,5-Dimethylbenzothiazole, 2,5-Dimethyl-1,3-benzothiazole, BENZOTHIAZOLE, 2,5-DIMETHYL-, 2,5-Dimethylbenzo[d]thiazole, 2,5-Dimethylbenzthiazol
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.04558 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.04558 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | CC1=CC2=C(C=C1)SC(=N2)C |
| InChIKey | XHANCLXYCNTZMM-UHFFFAOYSA-N |
Product Description
Applications: Benzothiazole, 2,5-dimethyl- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzothiazole, 2,5-dimethyl- (CAS 95-26-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzothiazole, 2,5-dimethyl- (CAS 95-26-1) has the molecular formula C9H9NS and a molecular weight of 163.05 g/mol. It is also known as 2,5-Dimethylbenzothiazole and 2,5-Dimethyl-1,3-benzothiazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzothiazole, 2,5-dimethyl-
Property Insights of Benzothiazole, 2,5-dimethyl-
The XLogP value of 3.1 indicates that Benzothiazole, 2,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Benzothiazole, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,5-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2,5-dimethyl-?
The CAS number of Benzothiazole, 2,5-dimethyl- is 95-26-1.
What is the molecular formula of Benzothiazole, 2,5-dimethyl-?
The molecular formula of Benzothiazole, 2,5-dimethyl- is C9H9NS.
What is the molecular weight of Benzothiazole, 2,5-dimethyl-?
The molecular weight of Benzothiazole, 2,5-dimethyl- is 163.04558 g/mol.
What are the applications of Benzothiazole, 2,5-dimethyl-?
Benzothiazole, 2,5-dimethyl- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzothiazole,...
Where can I buy Benzothiazole, 2,5-dimethyl-?
You can request a quote for Benzothiazole, 2,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 2,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.