1,1'-Dimethyl 2,2'-thiobis(acetate)
TL;DR: 1,1'-Dimethyl 2,2'-thiobis(acetate) (CAS 16002-29-2) is a chemical compound with molecular formula C6H10O4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate
Also Known As: dimethyl 2,2'-thiodiacetate, Dimethyl 2,2'-thiobisacetate, dimethyl thiodiacetate, Dimethyl 2,2/'-thiobisacetate, dimethyl 2,2'-sulfanediyldiacetate
| Molecular Formula | C6H10O4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.02998 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 16002-29-2 |
|---|---|
| SMILES | COC(=O)CSCC(=O)OC |
| InChIKey | ZQUQLLPRRJVUES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Dimethyl 2,2'-thiobis(acetate) (CAS 16002-29-2), with molecular formula C6H10O4S and molecular weight 178.03 g/mol. IUPAC: methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate.
Chemical Property Profile of 1,1'-Dimethyl 2,2'-thiobis(acetate)
Property Insights of 1,1'-Dimethyl 2,2'-thiobis(acetate)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Dimethyl 2,2'-thiobis(acetate). The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Dimethyl 2,2'-thiobis(acetate). Following Lipinski's Rule of Five, 1,1'-Dimethyl 2,2'-thiobis(acetate) 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 1,1'-Dimethyl 2,2'-thiobis(acetate)?
The CAS number of 1,1'-Dimethyl 2,2'-thiobis(acetate) is 16002-29-2.
What is the molecular formula of 1,1'-Dimethyl 2,2'-thiobis(acetate)?
The molecular formula of 1,1'-Dimethyl 2,2'-thiobis(acetate) is C6H10O4S.
What is the molecular weight of 1,1'-Dimethyl 2,2'-thiobis(acetate)?
The molecular weight of 1,1'-Dimethyl 2,2'-thiobis(acetate) is 178.03 g/mol.
Where can I buy 1,1'-Dimethyl 2,2'-thiobis(acetate)?
You can request a quote for 1,1'-Dimethyl 2,2'-thiobis(acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dimethyl 2,2'-thiobis(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dimethyl 2,2'-thiobis(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.