4-Phenyldibenzothiophene
TL;DR: 4-Phenyldibenzothiophene (CAS 104601-39-0) is a chemical compound with molecular formula C18H12S and molecular weight 260.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyldibenzothiophene
Also Known As: 4-Phenyldibenzothiophene, 4-Phenyldibenzo[b,d]thiophene, 4-Phenyl-dibenzothiophene, Dibenzothiophene, 4-phenyl-, 5-bromo-2-methylpyridin-4-amine
Technical Specifications
| Molecular Formula | C18H12S |
| Molecular Weight | 260.06598 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.06598 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC3=C2SC4=CC=CC=C34 |
| InChIKey | BMCNAHBDZUYGJG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenyldibenzothiophene
Property Insights of 4-Phenyldibenzothiophene
The XLogP value of 5.9 indicates that 4-Phenyldibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 4-Phenyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyldibenzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Phenyldibenzothiophene?
The CAS number of 4-Phenyldibenzothiophene is 104601-39-0.
What is the molecular formula of 4-Phenyldibenzothiophene?
The molecular formula of 4-Phenyldibenzothiophene is C18H12S.
What is the molecular weight of 4-Phenyldibenzothiophene?
The molecular weight of 4-Phenyldibenzothiophene is 260.06598 g/mol.
Where can I buy 4-Phenyldibenzothiophene?
You can request a quote for 4-Phenyldibenzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyldibenzothiophene?
Yes, CoreyChem provides custom synthesis services for 4-Phenyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.