4-Mercaptobutane-1-sulphonic acid
TL;DR: 4-Mercaptobutane-1-sulphonic acid (CAS 24687-42-1) is a chemical compound with molecular formula C4H10O3S2 and molecular weight 170.00714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-sulfanylbutane-1-sulfonic acid
Also Known As: 4-Mercaptobutane-1-sulphonic acid, 4-sulfanylbutane-1-sulfonic acid, 1-Butanesulfonic acid, 4-mercapto-, 4-mercapto-1-butanesulfonic acid, 4-sulfanyl-1-butanesulfonic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H10O3S2 |
| Molecular Weight | 170.00714 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.00714 Da |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
| SMILES | C(CCS(=O)(=O)O)CS |
| InChIKey | ISOQNEPBGIJCLU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Mercaptobutane-1-sulphonic acid
Property Insights of 4-Mercaptobutane-1-sulphonic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercaptobutane-1-sulphonic acid. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Mercaptobutane-1-sulphonic acid. Following Lipinski's Rule of Five, 4-Mercaptobutane-1-sulphonic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Mercaptobutane-1-sulphonic acid?
The CAS number of 4-Mercaptobutane-1-sulphonic acid is 24687-42-1.
What is the molecular formula of 4-Mercaptobutane-1-sulphonic acid?
The molecular formula of 4-Mercaptobutane-1-sulphonic acid is C4H10O3S2.
What is the molecular weight of 4-Mercaptobutane-1-sulphonic acid?
The molecular weight of 4-Mercaptobutane-1-sulphonic acid is 170.00714 g/mol.
Where can I buy 4-Mercaptobutane-1-sulphonic acid?
You can request a quote for 4-Mercaptobutane-1-sulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Mercaptobutane-1-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Mercaptobutane-1-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.