![1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one structure](/static/products/1163/116341-76-5.webp)
1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
TL;DR: 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one (CAS 116341-76-5) is a chemical compound with molecular formula C5H4O2S4 and molecular weight 223.91 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]oxadithiepin-2-one
Also Known As: 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one, [1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-one, N-phenyl-5-p-methoxyphenyl-3-pyrazolecarboxamide, 2H,5H,7H-6-Oxa-1,3,4,8-tetrathiaazulen-2-one, 2H,5H,7H-[1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
| Molecular Formula | C5H4O2S4 |
|---|---|
| Molecular Weight | 223.91 g/mol |
| LogP | 2.2992 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.90941 |
| Heavy Atoms | 11 |
| Complexity | 275.1762 |
Chemical Identifiers
| CAS Number | 116341-76-5 |
|---|---|
| SMILES | C1OCSC2=C(S1)SC(=O)S2 |
Product Overview
1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one (CAS 116341-76-5), with molecular formula C5H4O2S4 and molecular weight 223.91 g/mol. IUPAC: [1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-one.
Chemical Property Profile of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
Property Insights of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
The XLogP value of 2.2992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one 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]oxadithiepin-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-d][1,3,6]oxadithiepin-2-one?
The CAS number of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one is 116341-76-5.
What is the molecular formula of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one?
The molecular formula of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one is C5H4O2S4.
What is the molecular weight of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one?
The molecular weight of 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one is 223.91 g/mol.
Where can I buy 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one?
You can request a quote for 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-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-d][1,3,6]oxadithiepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.