![2-Ethylbenzo[b]thiophene structure](/static/products/1196/1196-81-2.webp)
2-Ethylbenzo[b]thiophene
TL;DR: 2-Ethylbenzo[b]thiophene (CAS 1196-81-2) is a chemical compound with molecular formula C10H10S and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-benzothiophene
Also Known As: 2-Ethylbenzo[b]thiophene, 2-Ethyl-1-benzothiophene, ethyl-benzothiophene, ethylbenzothiophene, ethylbenzo[b]thiophene
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.05032 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 1196-81-2 |
|---|---|
| SMILES | CCC1=CC2=CC=CC=C2S1 |
| InChIKey | JAABUGUCYZQMID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbenzo[b]thiophene (CAS 1196-81-2), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: 2-ethyl-1-benzothiophene.
Chemical Property Profile of 2-Ethylbenzo[b]thiophene
Property Insights of 2-Ethylbenzo[b]thiophene
The XLogP value of 3.8 indicates that 2-Ethylbenzo[b]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Ethylbenzo[b]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbenzo[b]thiophene 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 2-Ethylbenzo[b]thiophene?
The CAS number of 2-Ethylbenzo[b]thiophene is 1196-81-2.
What is the molecular formula of 2-Ethylbenzo[b]thiophene?
The molecular formula of 2-Ethylbenzo[b]thiophene is C10H10S.
What is the molecular weight of 2-Ethylbenzo[b]thiophene?
The molecular weight of 2-Ethylbenzo[b]thiophene is 162.05 g/mol.
Where can I buy 2-Ethylbenzo[b]thiophene?
You can request a quote for 2-Ethylbenzo[b]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbenzo[b]thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbenzo[b]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.