4H,6H-Dithieno(3,4-c:3',4'-e)thiepin
TL;DR: 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin (CAS 42850-82-8) is a chemical compound with molecular formula C10H8S3 and molecular weight 223.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8,12-trithiatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene
Also Known As: 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin, 4H,6H-Dithieno[3,4-c:3',4'-e]thiepin, 4H,6H-Bisthieno[3,4-c:3',4'-e]thiepine, 4,6-dihydrodithieno[2,3-a:2',3'-d]thiepine
| Molecular Formula | C10H8S3 |
|---|---|
| Molecular Weight | 223.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.97882 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 42850-82-8 |
|---|---|
| SMILES | C1C2=CSC=C2C3=CSC=C3CS1 |
| InChIKey | CFHBFIDALHHIJV-UHFFFAOYSA-N |
Product Overview
4H,6H-Dithieno(3,4-c:3',4'-e)thiepin (CAS 42850-82-8), with molecular formula C10H8S3 and molecular weight 223.98 g/mol. IUPAC: 4,8,12-trithiatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene.
Chemical Property Profile of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin
Property Insights of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin. Following Lipinski's Rule of Five, 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin 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 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin?
The CAS number of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin is 42850-82-8.
What is the molecular formula of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin?
The molecular formula of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin is C10H8S3.
What is the molecular weight of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin?
The molecular weight of 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin is 223.98 g/mol.
Where can I buy 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin?
You can request a quote for 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin?
Yes, KEHONG BIO provides custom synthesis services for 4H,6H-Dithieno(3,4-c:3',4'-e)thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.