Benzothiazole, 2-(5-methyl-2-thienyl)-
TL;DR: Benzothiazole, 2-(5-methyl-2-thienyl)- (CAS 23222-36-8) 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-(5-methylthiophen-2-yl)-1,3-benzothiazole
Also Known As: benzothiazolylmethylthiophene, Benzothiazole, 2-(5-methyl-2-thienyl)-, 2-(5-methylthiophen-2-yl)-1,3-benzothiazole, 2-(2-Methylthiophene-5-yl)benzothiazole, J3.304.696K
| 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 | 573.6528 |
Chemical Identifiers
| CAS Number | 23222-36-8 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NC3=CC=CC=C3S2 |
Product Overview
Benzothiazole, 2-(5-methyl-2-thienyl)- (CAS 23222-36-8), with molecular formula C12H9NS2 and molecular weight 231.02 g/mol. IUPAC: 2-(5-methylthiophen-2-yl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(5-methyl-2-thienyl)-
Property Insights of Benzothiazole, 2-(5-methyl-2-thienyl)-
The XLogP value of 4.33322 indicates that Benzothiazole, 2-(5-methyl-2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Benzothiazole, 2-(5-methyl-2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(5-methyl-2-thienyl)- 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 Benzothiazole, 2-(5-methyl-2-thienyl)-?
The CAS number of Benzothiazole, 2-(5-methyl-2-thienyl)- is 23222-36-8.
What is the molecular formula of Benzothiazole, 2-(5-methyl-2-thienyl)-?
The molecular formula of Benzothiazole, 2-(5-methyl-2-thienyl)- is C12H9NS2.
What is the molecular weight of Benzothiazole, 2-(5-methyl-2-thienyl)-?
The molecular weight of Benzothiazole, 2-(5-methyl-2-thienyl)- is 231.02 g/mol.
Where can I buy Benzothiazole, 2-(5-methyl-2-thienyl)-?
You can request a quote for Benzothiazole, 2-(5-methyl-2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(5-methyl-2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(5-methyl-2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.