![1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one structure](/static/products/886/88682-19-3.png)
1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one
TL;DR: 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one (CAS 88682-19-3) 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-f][1,3,5]trithiepin-2-one
Also Known As: 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one, [1,3]dithiolo[4,5-f][1,3,5]trithiepin-2-one, 2H,5H,7H-[1,3]dithiolo[4,5-f][1,3,5]trithiepin-2-one, 2,4,6,8,10-pentathiabicyclo<5.3.0>dec-1(7)ene-9-one
| Molecular Formula | C5H4OS5 |
|---|---|
| Molecular Weight | 239.89 g/mol |
| LogP | 3.0158 |
| Topological Polar Surface Area | 17.07 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 | 88682-19-3 |
|---|---|
| SMILES | C1SCSC2=C(S1)SC(=O)S2 |
Product Overview
1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one (CAS 88682-19-3), with molecular formula C5H4OS5 and molecular weight 239.89 g/mol. IUPAC: [1,3]dithiolo[4,5-f][1,3,5]trithiepin-2-one.
Chemical Property Profile of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one
Property Insights of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one
The XLogP value of 3.0158 indicates that 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one 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-f][1,3,5]trithiepin-2-one?
The CAS number of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one is 88682-19-3.
What is the molecular formula of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one?
The molecular formula of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one is C5H4OS5.
What is the molecular weight of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one?
The molecular weight of 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one is 239.89 g/mol.
Where can I buy 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one?
You can request a quote for 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one 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-f][1,3,5]trithiepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.