Sodium (4-Sulfonatobutyl)methanethiosulfonate
TL;DR: Sodium (4-Sulfonatobutyl)methanethiosulfonate (CAS 385398-78-7) is a chemical compound with molecular formula C5H11NaO5S3 and molecular weight 269.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-methylsulfonylsulfanylbutane-1-sulfonate
Also Known As: MTSBS, Sodium (4-Sulfonatobutyl)methanethiosulfonate, sodium;4-methylsulfonylsulfanylbutane-1-sulfonate, Sodium 4-methylsulfonylsulfanylbutane-1-sulfonate, sodium,4-methylsulfonylsulfanylbutane-1-sulfonate
| Molecular Formula | C5H11NaO5S3 |
|---|---|
| Molecular Weight | 269.97 g/mol |
| LogP | -2.9914 |
| Topological Polar Surface Area | 91.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.96664 |
| Heavy Atoms | 14 |
| Complexity | 298.3786 |
Chemical Identifiers
| CAS Number | 385398-78-7 |
|---|---|
| SMILES | CS(=O)(=O)SCCCCS(=O)(=O)[O-].[Na+] |
Product Overview
Sodium (4-Sulfonatobutyl)methanethiosulfonate (CAS 385398-78-7), with molecular formula C5H11NaO5S3 and molecular weight 269.97 g/mol. IUPAC: sodium 4-methylsulfonylsulfanylbutane-1-sulfonate.
Chemical Property Profile of Sodium (4-Sulfonatobutyl)methanethiosulfonate
Property Insights of Sodium (4-Sulfonatobutyl)methanethiosulfonate
The XLogP value of -2.9914 indicates that Sodium (4-Sulfonatobutyl)methanethiosulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium (4-Sulfonatobutyl)methanethiosulfonate. Following Lipinski's Rule of Five, Sodium (4-Sulfonatobutyl)methanethiosulfonate has 0 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 Sodium (4-Sulfonatobutyl)methanethiosulfonate?
The CAS number of Sodium (4-Sulfonatobutyl)methanethiosulfonate is 385398-78-7.
What is the molecular formula of Sodium (4-Sulfonatobutyl)methanethiosulfonate?
The molecular formula of Sodium (4-Sulfonatobutyl)methanethiosulfonate is C5H11NaO5S3.
What is the molecular weight of Sodium (4-Sulfonatobutyl)methanethiosulfonate?
The molecular weight of Sodium (4-Sulfonatobutyl)methanethiosulfonate is 269.97 g/mol.
Where can I buy Sodium (4-Sulfonatobutyl)methanethiosulfonate?
You can request a quote for Sodium (4-Sulfonatobutyl)methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium (4-Sulfonatobutyl)methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium (4-Sulfonatobutyl)methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.