![1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- structure](/static/products/1110/111082-47-4.webp)
1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-
TL;DR: 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- (CAS 111082-47-4) is a chemical compound with molecular formula C11H8S5 and molecular weight 299.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Also Known As: NCI60_008739, 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-, 4,5-(phenyl-ethylenedithio)-1,3-dithiole-2-thione, 5-phenyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione, 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione,5,6-dihydro-5-phenyl
| Molecular Formula | C11H8S5 |
|---|---|
| Molecular Weight | 299.92 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.92294 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 111082-47-4 |
|---|---|
| SMILES | C1C(SC2=C(S1)SC(=S)S2)C3=CC=CC=C3 |
| InChIKey | KAZNFIJVLOEIFR-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- (CAS 111082-47-4), with molecular formula C11H8S5 and molecular weight 299.92 g/mol. IUPAC: 5-phenyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione.
Chemical Property Profile of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-
Property Insights of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-
The XLogP value of 4.7 indicates that 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-. Following Lipinski's Rule of Five, 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- has 0 hydrogen bond donor(s) and 5 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-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-?
The CAS number of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- is 111082-47-4.
What is the molecular formula of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-?
The molecular formula of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- is C11H8S5.
What is the molecular weight of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-?
The molecular weight of 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- is 299.92 g/mol.
Where can I buy 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-?
You can request a quote for 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- 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-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.