3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
TL;DR: 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid (CAS 5438-82-4) is a chemical compound with molecular formula C10H11NO3S3 and molecular weight 288.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
Also Known As: 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid, 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID, 3-(Benzo(d)thiazol-2-ylthio)propane-1-sulfonic acid, J2.082.794G
| Molecular Formula | C10H11NO3S3 |
|---|---|
| Molecular Weight | 288.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.9901 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 5438-82-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)O |
| InChIKey | XBNHRNFODJOFRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid (CAS 5438-82-4), with molecular formula C10H11NO3S3 and molecular weight 288.99 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid.
Chemical Property Profile of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
Property Insights of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid. Following Lipinski's Rule of Five, 3-(2-Benzothiazolylthio)-1-Propanesulfonic 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 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid?
The CAS number of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid is 5438-82-4.
What is the molecular formula of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid?
The molecular formula of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid is C10H11NO3S3.
What is the molecular weight of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid?
The molecular weight of 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid is 288.99 g/mol.
Where can I buy 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid?
You can request a quote for 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.