1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester
TL;DR: 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester (CAS 65726-45-6) is a chemical compound with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methyl-1,3-dithiolan-2-yl)acetate
Also Known As: methyl 2-(2-methyl-1,3-dithiolan-2-yl)acetate, 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester, Methyl (2-methyl-1,3-dithiolan-2-yl)acetate, J1.101.629D, Methyl (2-methyl-1,3-dithiolan-2-yl)acetate #
| Molecular Formula | C7H12O2S2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.02788 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 65726-45-6 |
|---|---|
| SMILES | CC1(SCCS1)CC(=O)OC |
| InChIKey | KIOUEQHNRVBGAQ-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester (CAS 65726-45-6), with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol. IUPAC: methyl 2-(2-methyl-1,3-dithiolan-2-yl)acetate.
Chemical Property Profile of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester
Property Insights of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester. Following Lipinski's Rule of Five, 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester has 0 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 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester?
The CAS number of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester is 65726-45-6.
What is the molecular formula of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester?
The molecular formula of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester is C7H12O2S2.
What is the molecular weight of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester?
The molecular weight of 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester is 192.03 g/mol.
Where can I buy 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester?
You can request a quote for 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane-2-acetic acid, 2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.