2-(Oxan-2-ylsulfanyl)acetic acid
TL;DR: 2-(Oxan-2-ylsulfanyl)acetic acid (CAS 125488-66-6) is a chemical compound with molecular formula C7H12O3S and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(oxan-2-ylsulfanyl)acetic acid
Also Known As: 2-(oxan-2-ylsulfanyl)acetic Acid, [(Oxan-2-yl)sulfanyl]acetic acid, s-tetrahydropyranylmercaptoacetic acid, Acetic acid, 2-[(tetrahydro-2H-pyran-2-yl)thio]-, Acetic acid, [(tetrahydro-2H-pyran-2-yl)thio]-
| Molecular Formula | C7H12O3S |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.3308 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.05072 |
| Heavy Atoms | 11 |
| Complexity | 131.64737 |
Chemical Identifiers
| CAS Number | 125488-66-6 |
|---|---|
| SMILES | C1CCOC(C1)SCC(=O)O |
Product Overview
2-(Oxan-2-ylsulfanyl)acetic acid (CAS 125488-66-6), with molecular formula C7H12O3S and molecular weight 176.05 g/mol. IUPAC: 2-(oxan-2-ylsulfanyl)acetic acid.
Chemical Property Profile of 2-(Oxan-2-ylsulfanyl)acetic acid
Property Insights of 2-(Oxan-2-ylsulfanyl)acetic acid
The XLogP value of 1.3308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Oxan-2-ylsulfanyl)acetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(Oxan-2-ylsulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Oxan-2-ylsulfanyl)acetic acid has 1 hydrogen bond donor(s) and 3 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-(Oxan-2-ylsulfanyl)acetic acid?
The CAS number of 2-(Oxan-2-ylsulfanyl)acetic acid is 125488-66-6.
What is the molecular formula of 2-(Oxan-2-ylsulfanyl)acetic acid?
The molecular formula of 2-(Oxan-2-ylsulfanyl)acetic acid is C7H12O3S.
What is the molecular weight of 2-(Oxan-2-ylsulfanyl)acetic acid?
The molecular weight of 2-(Oxan-2-ylsulfanyl)acetic acid is 176.05 g/mol.
Where can I buy 2-(Oxan-2-ylsulfanyl)acetic acid?
You can request a quote for 2-(Oxan-2-ylsulfanyl)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-(Oxan-2-ylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Oxan-2-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.