3,3'-Thiobis(methyl propionate)
TL;DR: 3,3'-Thiobis(methyl propionate) (CAS 4131-74-2) is a chemical compound with molecular formula C8H14O4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
Also Known As: Dimethyl 3,3'-thiodipropionate, Dimethyl thiodipropionate, dimethyl 3,3'-thiodipropanoate, Dimethyl 3,3-Thiodipropionate, 3,3'-Thiobis(methyl propionate)
| Molecular Formula | C8H14O4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.06128 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 4131-74-2 |
|---|---|
| SMILES | COC(=O)CCSCCC(=O)OC |
| InChIKey | MYWWWNVEZBAKHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Thiobis(methyl propionate) (CAS 4131-74-2), with molecular formula C8H14O4S and molecular weight 206.06 g/mol. IUPAC: methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate.
Chemical Property Profile of 3,3'-Thiobis(methyl propionate)
Property Insights of 3,3'-Thiobis(methyl propionate)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Thiobis(methyl propionate). The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Thiobis(methyl propionate). Following Lipinski's Rule of Five, 3,3'-Thiobis(methyl propionate) 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 3,3'-Thiobis(methyl propionate)?
The CAS number of 3,3'-Thiobis(methyl propionate) is 4131-74-2.
What is the molecular formula of 3,3'-Thiobis(methyl propionate)?
The molecular formula of 3,3'-Thiobis(methyl propionate) is C8H14O4S.
What is the molecular weight of 3,3'-Thiobis(methyl propionate)?
The molecular weight of 3,3'-Thiobis(methyl propionate) is 206.06 g/mol.
Where can I buy 3,3'-Thiobis(methyl propionate)?
You can request a quote for 3,3'-Thiobis(methyl propionate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Thiobis(methyl propionate)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Thiobis(methyl propionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.