1-O,4-O-dimethyl (E)-but-2-enebis(thioate)
TL;DR: 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) (CAS 6963-35-5) is a chemical compound with molecular formula C6H8O2S2 and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,4-O-dimethyl (E)-but-2-enebis(thioate)
Also Known As: 1-O,4-O-dimethyl (E)-but-2-enebis(thioate), O~1~,O~4~-Dimethyl (2E)-but-2-enebis(thioate)
| Molecular Formula | C6H8O2S2 |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | 1.4902 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.99657 |
| Heavy Atoms | 10 |
| Complexity | 145.13075 |
Chemical Identifiers
| CAS Number | 6963-35-5 |
|---|---|
| SMILES | COC(=S)/C=C/C(=S)OC |
Product Overview
1-O,4-O-dimethyl (E)-but-2-enebis(thioate) (CAS 6963-35-5), with molecular formula C6H8O2S2 and molecular weight 176.00 g/mol. IUPAC: 1-O,4-O-dimethyl (E)-but-2-enebis(thioate).
Chemical Property Profile of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)
Property Insights of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)
The XLogP value of 1.4902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O,4-O-dimethyl (E)-but-2-enebis(thioate). With a topological polar surface area (TPSA) of 18.46 Ų, 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) 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-O,4-O-dimethyl (E)-but-2-enebis(thioate)?
The CAS number of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) is 6963-35-5.
What is the molecular formula of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)?
The molecular formula of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) is C6H8O2S2.
What is the molecular weight of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)?
The molecular weight of 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) is 176.00 g/mol.
Where can I buy 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)?
You can request a quote for 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O,4-O-dimethyl (E)-but-2-enebis(thioate)?
Yes, KEHONG BIO provides custom synthesis services for 1-O,4-O-dimethyl (E)-but-2-enebis(thioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.