2-((Methylsulfonyl)thio)acetic acid
TL;DR: 2-((Methylsulfonyl)thio)acetic acid (CAS 13700-15-7) is a chemical compound with molecular formula C3H6O4S2 and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylsulfanylacetic acid
Also Known As: Carboxymethyl methanethiosulfonate, MTSCM, 2-methylsulfonylsulfanylacetic Acid, Thio-methanesulfonic Acid, 2-(methanesulfonylsulfanyl)acetic acid
| Molecular Formula | C3H6O4S2 |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | -0.2362 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.97075 |
| Heavy Atoms | 9 |
| Complexity | 191.85829 |
Chemical Identifiers
| CAS Number | 13700-15-7 |
|---|---|
| SMILES | CS(=O)(=O)SCC(=O)O |
Product Overview
2-((Methylsulfonyl)thio)acetic acid (CAS 13700-15-7), with molecular formula C3H6O4S2 and molecular weight 169.97 g/mol. IUPAC: 2-methylsulfonylsulfanylacetic acid.
Chemical Property Profile of 2-((Methylsulfonyl)thio)acetic acid
Property Insights of 2-((Methylsulfonyl)thio)acetic acid
The XLogP value of -0.2362 indicates that 2-((Methylsulfonyl)thio)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Methylsulfonyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((Methylsulfonyl)thio)acetic acid has 1 hydrogen bond donor(s) and 4 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-((Methylsulfonyl)thio)acetic acid?
The CAS number of 2-((Methylsulfonyl)thio)acetic acid is 13700-15-7.
What is the molecular formula of 2-((Methylsulfonyl)thio)acetic acid?
The molecular formula of 2-((Methylsulfonyl)thio)acetic acid is C3H6O4S2.
What is the molecular weight of 2-((Methylsulfonyl)thio)acetic acid?
The molecular weight of 2-((Methylsulfonyl)thio)acetic acid is 169.97 g/mol.
Where can I buy 2-((Methylsulfonyl)thio)acetic acid?
You can request a quote for 2-((Methylsulfonyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Methylsulfonyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Methylsulfonyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.