3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
TL;DR: 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 41814-60-2) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: NCIOpen2_000859, 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole, 3-Methyl-s-triazolo(3,4-b)benzothiazol, 3-Methyl-s-triazolo(3,4-b)benzothiazole, 1-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 41814-60-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | XMEQXRMNVMZFAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole (CAS 41814-60-2), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 1-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Property Insights of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
The XLogP value of 3.1 indicates that 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole has 0 hydrogen bond donor(s) and 3 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-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The CAS number of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 41814-60-2.
What is the molecular formula of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular formula of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is C9H7N3S.
What is the molecular weight of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
The molecular weight of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole is 189.04 g/mol.
Where can I buy 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
You can request a quote for 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.