2,5-Diphenyl-6a-thiathiophthene
TL;DR: 2,5-Diphenyl-6a-thiathiophthene (CAS 1033-90-5) is a chemical compound with molecular formula C17H12S3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-diphenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 2,5-Diphenyl-6a-thiathiophthene, 3,7-diphenyl-1, 2,5-diphenylthiothiophthene, 2,5-diphenyl-6-thiathiophthene, 1,6,6a-SIV-trithiapentalene, 2,5-diphenyl-
| Molecular Formula | C17H12S3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0101 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 1033-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=S(S2)SC(=C3)C4=CC=CC=C4 |
| InChIKey | SRYTYXMHFJHYIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Diphenyl-6a-thiathiophthene (CAS 1033-90-5), with molecular formula C17H12S3 and molecular weight 312.01 g/mol. IUPAC: 3,7-diphenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of 2,5-Diphenyl-6a-thiathiophthene
Property Insights of 2,5-Diphenyl-6a-thiathiophthene
The XLogP value of 4.6 indicates that 2,5-Diphenyl-6a-thiathiophthene 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 2,5-Diphenyl-6a-thiathiophthene. Following Lipinski's Rule of Five, 2,5-Diphenyl-6a-thiathiophthene 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 2,5-Diphenyl-6a-thiathiophthene?
The CAS number of 2,5-Diphenyl-6a-thiathiophthene is 1033-90-5.
What is the molecular formula of 2,5-Diphenyl-6a-thiathiophthene?
The molecular formula of 2,5-Diphenyl-6a-thiathiophthene is C17H12S3.
What is the molecular weight of 2,5-Diphenyl-6a-thiathiophthene?
The molecular weight of 2,5-Diphenyl-6a-thiathiophthene is 312.01 g/mol.
Where can I buy 2,5-Diphenyl-6a-thiathiophthene?
You can request a quote for 2,5-Diphenyl-6a-thiathiophthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diphenyl-6a-thiathiophthene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diphenyl-6a-thiathiophthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.