Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide
TL;DR: Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide (CAS 28504-85-0) is a chemical compound with molecular formula C8H4O2S3 and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7λ6,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene 7,7-dioxide
Also Known As: Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide, Dithieno[3,4-:3',4'-d]thiophene,4,4-dioxide-, dithieno[2,3-b:2',3'-e]thiophene 4,4-dioxide, 4H-4lambda~6~-Bisthieno[3,4-b:3',4'-d]thiophene-4,4-dione, RefChem:339253
| Molecular Formula | C8H4O2S3 |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.93735 |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 28504-85-0 |
|---|---|
| SMILES | C1=C2C3=CSC=C3S(=O)(=O)C2=CS1 |
| InChIKey | RPQRLVGEDLHHRD-UHFFFAOYSA-N |
Product Overview
Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide (CAS 28504-85-0), with molecular formula C8H4O2S3 and molecular weight 227.94 g/mol. IUPAC: 4,7λ6,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene 7,7-dioxide.
Chemical Property Profile of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide
Property Insights of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide. Following Lipinski's Rule of Five, Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide 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 Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide?
The CAS number of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide is 28504-85-0.
What is the molecular formula of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide?
The molecular formula of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide is C8H4O2S3.
What is the molecular weight of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide?
The molecular weight of Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide is 227.94 g/mol.
Where can I buy Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide?
You can request a quote for Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Dithieno(3,4-b:3',4'-d)thiophene, 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.