![[1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione structure](/static/products/113/113768-93-7.png)
[1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione
TL;DR: [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione (CAS 113768-93-7) is a chemical compound with molecular formula C5H4OS5 and molecular weight 239.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3]dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione
Also Known As: [1,3]dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione, AB01330023-02, 2H,4H-1,3-dithioleno[4,5-d]1,3,6-oxadithiepin-7-thione
| Molecular Formula | C5H4OS5 |
|---|---|
| Molecular Weight | 239.89 g/mol |
| LogP | 3.66849 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.88657 |
| Heavy Atoms | 11 |
| Complexity | 273.5666 |
Chemical Identifiers
| CAS Number | 113768-93-7 |
|---|---|
| SMILES | C1OCSC2=C(S1)SC(=S)S2 |
Product Overview
[1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione (CAS 113768-93-7), with molecular formula C5H4OS5 and molecular weight 239.89 g/mol. IUPAC: [1,3]dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione.
Chemical Property Profile of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione
Property Insights of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione
The XLogP value of 3.66849 indicates that [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione has 0 hydrogen bond donor(s) and 6 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]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione?
The CAS number of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione is 113768-93-7.
What is the molecular formula of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione?
The molecular formula of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione is C5H4OS5.
What is the molecular weight of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione?
The molecular weight of [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione is 239.89 g/mol.
Where can I buy [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione?
You can request a quote for [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for [1,3]Dithiolo[4,5-d][1,3,6]oxadithiepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.