2-Methylbenzothiazole
TL;DR: 2-Methylbenzothiazole (CAS 120-75-2) is a chemical compound with molecular formula C8H7NS and molecular weight 149.02992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1,3-benzothiazole
Also Known As: 2-Methylbenzothiazole, 2-Methyl-1,3-benzothiazole, Benzothiazole, 2-methyl-, Spirotrypan, 2-methyl-benzothiazole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NS |
| Molecular Weight | 149.02992 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02992 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| Melting Point | 14 °C |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| SMILES | CC1=NC2=CC=CC=C2S1 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzothiazole 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Methylbenzothiazole (CAS 120-75-2) has the molecular formula C8H7NS and a molecular weight of 149.03 g/mol. Synonyms include 2-Methylbenzothiazole and 2-Methyl-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 2-Methylbenzothiazole
Property Insights of 2-Methylbenzothiazole
The XLogP value of 3.0 indicates that 2-Methylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzothiazole 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 2-Methylbenzothiazole?
The CAS number of 2-Methylbenzothiazole is 120-75-2.
What is the molecular formula of 2-Methylbenzothiazole?
The molecular formula of 2-Methylbenzothiazole is C8H7NS.
What is the molecular weight of 2-Methylbenzothiazole?
The molecular weight of 2-Methylbenzothiazole is 149.02992 g/mol.
What are the applications of 2-Methylbenzothiazole?
2-Methylbenzothiazole 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. Available from CoreyChem as both catalog item and...
Where can I buy 2-Methylbenzothiazole?
You can request a quote for 2-Methylbenzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.