Dibutyl 2,2'-thiobisacetate
TL;DR: Dibutyl 2,2'-thiobisacetate (CAS 4121-12-4) is a chemical compound with molecular formula C12H22O4S and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(2-butoxy-2-oxoethyl)sulfanylacetate
Also Known As: Dibutyl 2,2'-thiobisacetate, Dibutyl 2,2'-thiodiacetate, Dibutyl thiodiacetate, Thiodiglycollic acid dibutyl ester, dibutyl2,2'-thiobisacetate
| Molecular Formula | C12H22O4S |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 262.12387 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 4121-12-4 |
|---|---|
| SMILES | CCCCOC(=O)CSCC(=O)OCCCC |
| InChIKey | RIQXZINBEMXOOE-UHFFFAOYSA-N |
Product Overview
Dibutyl 2,2'-thiobisacetate (CAS 4121-12-4), with molecular formula C12H22O4S and molecular weight 262.12 g/mol. IUPAC: butyl 2-(2-butoxy-2-oxoethyl)sulfanylacetate.
Chemical Property Profile of Dibutyl 2,2'-thiobisacetate
Property Insights of Dibutyl 2,2'-thiobisacetate
The XLogP value of 3.2 indicates that Dibutyl 2,2'-thiobisacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 2,2'-thiobisacetate. Following Lipinski's Rule of Five, Dibutyl 2,2'-thiobisacetate has 0 hydrogen bond donor(s) and 5 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 Dibutyl 2,2'-thiobisacetate?
The CAS number of Dibutyl 2,2'-thiobisacetate is 4121-12-4.
What is the molecular formula of Dibutyl 2,2'-thiobisacetate?
The molecular formula of Dibutyl 2,2'-thiobisacetate is C12H22O4S.
What is the molecular weight of Dibutyl 2,2'-thiobisacetate?
The molecular weight of Dibutyl 2,2'-thiobisacetate is 262.12 g/mol.
Where can I buy Dibutyl 2,2'-thiobisacetate?
You can request a quote for Dibutyl 2,2'-thiobisacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2,2'-thiobisacetate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2,2'-thiobisacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.