2-Methyl-5-thiophen-2-yl-1,3-benzothiazole
TL;DR: 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole (CAS 94045-68-8) is a chemical compound with molecular formula C12H9NS2 and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-thiophen-2-yl-1,3-benzothiazole
Also Known As: 2-methyl-5-thiophen-2-yl-benzothiazole, 2-methyl-5-(thiophen-2-yl)benzo[d]thiazole
| Molecular Formula | C12H9NS2 |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 4.33322 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.01764 |
| Heavy Atoms | 15 |
| Complexity | 593.1528 |
Chemical Identifiers
| CAS Number | 94045-68-8 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)C3=CC=CS3 |
Product Overview
2-Methyl-5-thiophen-2-yl-1,3-benzothiazole (CAS 94045-68-8), with molecular formula C12H9NS2 and molecular weight 231.02 g/mol. IUPAC: 2-methyl-5-thiophen-2-yl-1,3-benzothiazole.
Chemical Property Profile of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole
Property Insights of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole
The XLogP value of 4.33322 indicates that 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-thiophen-2-yl-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 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole?
The CAS number of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole is 94045-68-8.
What is the molecular formula of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole?
The molecular formula of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole is C12H9NS2.
What is the molecular weight of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole?
The molecular weight of 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole is 231.02 g/mol.
Where can I buy 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole?
You can request a quote for 2-Methyl-5-thiophen-2-yl-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 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-thiophen-2-yl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.