Benzo(b)thiophene, ethyl-
TL;DR: Benzo(b)thiophene, ethyl- (CAS 31283-17-7) 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.
6-ethyl-1-benzothiophene
Also Known As: 6-ethyl-1-benzothiophene, Benzo(b)thiophene, ethyl-, 6-ethylbenzo[b]thiophene, Benzo[b]thiophene, ethyl-, benzo[b]thiophene,6-ethyl-
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.7 |
| 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 | 31283-17-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C=CS2 |
| InChIKey | XPDFLCCDJKRYRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene, ethyl- (CAS 31283-17-7), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: 6-ethyl-1-benzothiophene.
Chemical Property Profile of Benzo(b)thiophene, ethyl-
Property Insights of Benzo(b)thiophene, ethyl-
The XLogP value of 3.7 indicates that Benzo(b)thiophene, ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo(b)thiophene, ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, ethyl- 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 Benzo(b)thiophene, ethyl-?
The CAS number of Benzo(b)thiophene, ethyl- is 31283-17-7.
What is the molecular formula of Benzo(b)thiophene, ethyl-?
The molecular formula of Benzo(b)thiophene, ethyl- is C10H10S.
What is the molecular weight of Benzo(b)thiophene, ethyl-?
The molecular weight of Benzo(b)thiophene, ethyl- is 162.05 g/mol.
Where can I buy Benzo(b)thiophene, ethyl-?
You can request a quote for Benzo(b)thiophene, ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene, ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.