1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester
TL;DR: 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester (CAS 76339-59-8) 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.
ethyl 2-methyl-1,3-dithiolane-2-carboxylate
Also Known As: Ethyl 2-methyl-1,3-dithiolane-2-carboxylate, Ethyl 2-methyl-1,3-dithiolane-2-carboxylate #, 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester
| Molecular Formula | C7H12O2S2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 1.9 |
| 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 | 76339-59-8 |
|---|---|
| SMILES | CCOC(=O)C1(SCCS1)C |
| InChIKey | WRTPGTZTMXTVQC-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester (CAS 76339-59-8), with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol. IUPAC: ethyl 2-methyl-1,3-dithiolane-2-carboxylate.
Chemical Property Profile of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester
Property Insights of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester. Following Lipinski's Rule of Five, 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl 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-carboxylic acid, 2-methyl-, ethyl ester?
The CAS number of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester is 76339-59-8.
What is the molecular formula of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester?
The molecular formula of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester is C7H12O2S2.
What is the molecular weight of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester?
The molecular weight of 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester is 192.03 g/mol.
Where can I buy 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester?
You can request a quote for 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl 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-carboxylic acid, 2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane-2-carboxylic acid, 2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.