2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid
TL;DR: 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid (CAS 25991-38-2) is a chemical compound with molecular formula C8H7NO3S3 and molecular weight 260.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1,3-benzothiazole-6-sulfonic acid
Also Known As: 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid, 2-methylsulfanyl-1,3-benzothiazole-6-sulfonic acid, 6-Benzothiazolesulfonicacid, 2-(methylthio)-, RefChem:254316
| Molecular Formula | C8H7NO3S3 |
|---|---|
| Molecular Weight | 260.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9588 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 25991-38-2 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)O |
| InChIKey | ZOINTWMLIJDIQB-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid (CAS 25991-38-2), with molecular formula C8H7NO3S3 and molecular weight 260.96 g/mol. IUPAC: 2-methylsulfanyl-1,3-benzothiazole-6-sulfonic acid.
Chemical Property Profile of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid
Property Insights of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid has 1 hydrogen bond donor(s) and 6 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-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid?
The CAS number of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid is 25991-38-2.
What is the molecular formula of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid?
The molecular formula of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid is C8H7NO3S3.
What is the molecular weight of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid?
The molecular weight of 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid is 260.96 g/mol.
Where can I buy 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid?
You can request a quote for 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-1,3-benzothiazole-6-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.