Methanethiosulfonate
TL;DR: Methanethiosulfonate (CAS 44059-82-7) is a chemical compound with molecular formula CH4O2S2 and molecular weight 111.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-methyl-oxo-sulfanylidene-λ6-sulfane
Also Known As: Methanethiosulfonate, (sulfanylsulfonyl)methane, methane thiosulfonate, methanethiosulfonic acid, Methanesulfonothioic acid
| Molecular Formula | CH4O2S2 |
|---|---|
| Molecular Weight | 111.97 g/mol |
| LogP | -0.1645 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.96527 |
| Heavy Atoms | 5 |
| Complexity | 90.81636 |
Chemical Identifiers
| CAS Number | 44059-82-7 |
|---|---|
| SMILES | CS(=O)(=S)O |
Product Overview
Methanethiosulfonate (CAS 44059-82-7), with molecular formula CH4O2S2 and molecular weight 111.97 g/mol. IUPAC: hydroxy-methyl-oxo-sulfanylidene-λ6-sulfane.
Chemical Property Profile of Methanethiosulfonate
Property Insights of Methanethiosulfonate
The XLogP value of -0.1645 indicates that Methanethiosulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, Methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanethiosulfonate has 1 hydrogen bond donor(s) and 2 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 Methanethiosulfonate?
The CAS number of Methanethiosulfonate is 44059-82-7.
What is the molecular formula of Methanethiosulfonate?
The molecular formula of Methanethiosulfonate is CH4O2S2.
What is the molecular weight of Methanethiosulfonate?
The molecular weight of Methanethiosulfonate is 111.97 g/mol.
Where can I buy Methanethiosulfonate?
You can request a quote for Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.