1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-
TL;DR: 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- (CAS 16094-76-1) is a chemical compound with molecular formula C23H16S3 and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,7-triphenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 3,4,7-triphenyl-1, 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-, [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2,3,5-triphenyl-, 2,3,5-Triphenyl[1,2]dithiolo[1,5-b][1,2]dithiole-7-SIV, 3,4,7-Triphenyl-1lambda4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
| Molecular Formula | C23H16S3 |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.0414 |
| Heavy Atoms | 26 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 16094-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=S(S2)SC(=C3C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | LEKKUXBSJQYDRF-UHFFFAOYSA-N |
Product Overview
1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- (CAS 16094-76-1), with molecular formula C23H16S3 and molecular weight 388.04 g/mol. IUPAC: 3,4,7-triphenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-
Property Insights of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-
The XLogP value of 6.2 indicates that 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-. Following Lipinski's Rule of Five, 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-?
The CAS number of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- is 16094-76-1.
What is the molecular formula of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-?
The molecular formula of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- is C23H16S3.
What is the molecular weight of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-?
The molecular weight of 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- is 388.04 g/mol.
Where can I buy 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-?
You can request a quote for 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6,6aIVS-Trithiapentalene, 2,3,5-triphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.