Dithieno(3,4-b:3',4'-d)thiophene
TL;DR: Dithieno(3,4-b:3',4'-d)thiophene (CAS 13090-49-8) is a chemical compound with molecular formula C8H4S3 and molecular weight 195.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
Also Known As: Dithieno(3,4-b:3',4'-d)thiophene, Dithieno[3,4-b:3',4'-d]thiophene, DITHIENO(3,4-B:3,4-D)THIOPHENE, dithieno[3,2-a:3',2'-d]thiophene, Dithieno[3,4-b;3,4-d]thiophene
| Molecular Formula | C8H4S3 |
|---|---|
| Molecular Weight | 195.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.94751 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 13090-49-8 |
|---|---|
| SMILES | C1=C2C3=CSC=C3SC2=CS1 |
| InChIKey | ROZYMPBUMVSVHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithieno(3,4-b:3',4'-d)thiophene (CAS 13090-49-8), with molecular formula C8H4S3 and molecular weight 195.95 g/mol. IUPAC: 4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene.
Chemical Property Profile of Dithieno(3,4-b:3',4'-d)thiophene
Property Insights of Dithieno(3,4-b:3',4'-d)thiophene
The XLogP value of 3.6 indicates that Dithieno(3,4-b:3',4'-d)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithieno(3,4-b:3',4'-d)thiophene. Following Lipinski's Rule of Five, Dithieno(3,4-b:3',4'-d)thiophene has 0 hydrogen bond donor(s) and 3 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?
The CAS number of Dithieno(3,4-b:3',4'-d)thiophene is 13090-49-8.
What is the molecular formula of Dithieno(3,4-b:3',4'-d)thiophene?
The molecular formula of Dithieno(3,4-b:3',4'-d)thiophene is C8H4S3.
What is the molecular weight of Dithieno(3,4-b:3',4'-d)thiophene?
The molecular weight of Dithieno(3,4-b:3',4'-d)thiophene is 195.95 g/mol.
Where can I buy Dithieno(3,4-b:3',4'-d)thiophene?
You can request a quote for Dithieno(3,4-b:3',4'-d)thiophene 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?
Yes, KEHONG BIO provides custom synthesis services for Dithieno(3,4-b:3',4'-d)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.