Ethyldibenzothiophene
TL;DR: Ethyldibenzothiophene (CAS 89816-97-7) is a chemical compound with molecular formula C14H12S and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyldibenzothiophene
Also Known As: Ethyldibenzothiophene, 1-ethyldibenzothiophene, Dibenzothiophene, ethyl-, 1-Ethyldibenzothiophen, Dibenzothiophene, 1-ethyl-
| Molecular Formula | C14H12S |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 4.6169 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.06598 |
| Heavy Atoms | 15 |
| Complexity | 619.3571 |
Chemical Identifiers
| CAS Number | 89816-97-7 |
|---|---|
| SMILES | CCC1=C2C3=CC=CC=C3SC2=CC=C1 |
Product Overview
Ethyldibenzothiophene (CAS 89816-97-7), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 1-ethyldibenzothiophene.
Chemical Property Profile of Ethyldibenzothiophene
Property Insights of Ethyldibenzothiophene
The XLogP value of 4.6169 indicates that Ethyldibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Ethyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyldibenzothiophene has 0 hydrogen bond donor(s) and 1 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 Ethyldibenzothiophene?
The CAS number of Ethyldibenzothiophene is 89816-97-7.
What is the molecular formula of Ethyldibenzothiophene?
The molecular formula of Ethyldibenzothiophene is C14H12S.
What is the molecular weight of Ethyldibenzothiophene?
The molecular weight of Ethyldibenzothiophene is 212.07 g/mol.
Where can I buy Ethyldibenzothiophene?
You can request a quote for Ethyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for Ethyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.