3-methylbenzothiazole-2(3H)-selone
TL;DR: 3-methylbenzothiazole-2(3H)-selone (CAS 2786-43-8) is a chemical compound with molecular formula C8H7NSSe and molecular weight 228.94644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,3-benzothiazole-2-selone
Also Known As: 3-Methylbenzothiazole-2(3H)-selone, 3-Methyl-2-selenoxobenzothiazole, 3-methyl-1,3-benzothiazole-2-selone, N-methylbenzothiazole-2-selone, 3-Methylbenzothiazole-2-selone
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NSSe |
| Molecular Weight | 228.94644 g/mol |
| XLogP | 1.94 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.94644 Da |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
| SMILES | CN1C2=CC=CC=C2SC1=[Se] |
| InChIKey | VBKDUIRAXCKPOA-UHFFFAOYSA-N |
Product Description
Applications: 3-methylbenzothiazole-2(3H)-selone 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 3-methylbenzothiazole-2(3H)-selone (CAS 2786-43-8) 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, 3-methylbenzothiazole-2(3H)-selone (CAS 2786-43-8) has the molecular formula C8H7NSSe and a molecular weight of 228.95 g/mol. It is also known as 3-Methylbenzothiazole-2(3H)-selone and 3-Methyl-2-selenoxobenzothiazole.
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 3-methylbenzothiazole-2(3H)-selone
Property Insights of 3-methylbenzothiazole-2(3H)-selone
The XLogP value of 1.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbenzothiazole-2(3H)-selone. With a topological polar surface area (TPSA) of 28.5 Ų, 3-methylbenzothiazole-2(3H)-selone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylbenzothiazole-2(3H)-selone 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 3-methylbenzothiazole-2(3H)-selone?
The CAS number of 3-methylbenzothiazole-2(3H)-selone is 2786-43-8.
What is the molecular formula of 3-methylbenzothiazole-2(3H)-selone?
The molecular formula of 3-methylbenzothiazole-2(3H)-selone is C8H7NSSe.
What is the molecular weight of 3-methylbenzothiazole-2(3H)-selone?
The molecular weight of 3-methylbenzothiazole-2(3H)-selone is 228.94644 g/mol.
What are the applications of 3-methylbenzothiazole-2(3H)-selone?
3-methylbenzothiazole-2(3H)-selone 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...
Where can I buy 3-methylbenzothiazole-2(3H)-selone?
You can request a quote for 3-methylbenzothiazole-2(3H)-selone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methylbenzothiazole-2(3H)-selone?
Yes, CoreyChem provides custom synthesis services for 3-methylbenzothiazole-2(3H)-selone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.