2-propanesulfonic acid, 1,3-dimercapto-, sodium salt
TL;DR: 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt (CAS 3811-62-9) is a chemical compound with molecular formula C3H8O3S3 and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(sulfanyl)propane-2-sulfonic acid
Also Known As: Isounithiol, 2-Propanesulfonic acid, 1,3-dimercapto-, 1,3-bis(sulfanyl)propane-2-sulfonic acid, 1,3-dimercaptopropane-2-sulfonic acid, 1,3-Dimercapto-2-propanesulfonic acid sodium salt
| Molecular Formula | C3H8O3S3 |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.96356 |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 3811-62-9 |
|---|---|
| SMILES | C(C(CS)S(=O)(=O)O)S |
| InChIKey | OEIREMSMLSZFFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-propanesulfonic acid, 1,3-dimercapto-, sodium salt (CAS 3811-62-9), with molecular formula C3H8O3S3 and molecular weight 187.96 g/mol. IUPAC: 1,3-bis(sulfanyl)propane-2-sulfonic acid.
Chemical Property Profile of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt
Property Insights of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt
The XLogP value of -0.2 indicates that 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt. Following Lipinski's Rule of Five, 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt has 3 hydrogen bond donor(s) and 5 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-propanesulfonic acid, 1,3-dimercapto-, sodium salt?
The CAS number of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt is 3811-62-9.
What is the molecular formula of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt?
The molecular formula of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt is C3H8O3S3.
What is the molecular weight of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt?
The molecular weight of 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt is 187.96 g/mol.
Where can I buy 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt?
You can request a quote for 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 2-propanesulfonic acid, 1,3-dimercapto-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.