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 228.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H7NSSe |
|---|---|
| Molecular Weight | 228.95 g/mol |
| LogP | 1.94 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.94644 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 2786-43-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=[Se] |
| InChIKey | VBKDUIRAXCKPOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methylbenzothiazole-2(3H)-selone (CAS 2786-43-8), with molecular formula C8H7NSSe and molecular weight 228.95 g/mol. IUPAC: 3-methyl-1,3-benzothiazole-2-selone.
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
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 228.95 g/mol.
Where can I buy 3-methylbenzothiazole-2(3H)-selone?
You can request a quote for 3-methylbenzothiazole-2(3H)-selone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbenzothiazole-2(3H)-selone?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbenzothiazole-2(3H)-selone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.