3-Ethyldibenzothiophene
TL;DR: 3-Ethyldibenzothiophene (CAS 89816-98-8) 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.
2-ethyldibenzothiophene
Also Known As: 2-ethyldibenzothiophene, 3-ethyldibenzothiophene, Dibenzothiophene, 2-ethyl-, Dibenzothiophene, 2-ethyl, Dibenzothiophene, 3-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 | 89816-98-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)SC3=CC=CC=C32 |
Product Overview
3-Ethyldibenzothiophene (CAS 89816-98-8), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 2-ethyldibenzothiophene.
Chemical Property Profile of 3-Ethyldibenzothiophene
Property Insights of 3-Ethyldibenzothiophene
The XLogP value of 4.6169 indicates that 3-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, 3-Ethyldibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Ethyldibenzothiophene?
The CAS number of 3-Ethyldibenzothiophene is 89816-98-8.
What is the molecular formula of 3-Ethyldibenzothiophene?
The molecular formula of 3-Ethyldibenzothiophene is C14H12S.
What is the molecular weight of 3-Ethyldibenzothiophene?
The molecular weight of 3-Ethyldibenzothiophene is 212.07 g/mol.
Where can I buy 3-Ethyldibenzothiophene?
You can request a quote for 3-Ethyldibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyldibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyldibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.