![2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile structure](/static/products/2379/23799-60-2.webp)
2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile
TL;DR: 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile (CAS 23799-60-2) is a chemical compound with molecular formula C10H6ClNS and molecular weight 206.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1-benzothiophen-3-yl)acetonitrile
Also Known As: 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile, 5-CHLOROTHIANAPHTHENE-3-ACETONITRILE, 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile, Benzoic acid, 2,3,6-tribromo-, 5-CHLOROBENZO[B]THIOPHENE-3-ACETONITRILE
| Molecular Formula | C10H6ClNS |
|---|---|
| Molecular Weight | 206.99 g/mol |
| LogP | 3.62078 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.99095 |
| Heavy Atoms | 13 |
| Complexity | 481.12067 |
Chemical Identifiers
| CAS Number | 23799-60-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CS2)CC#N |
Product Overview
2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile (CAS 23799-60-2), with molecular formula C10H6ClNS and molecular weight 206.99 g/mol. IUPAC: 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile.
Chemical Property Profile of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile
Property Insights of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile
The XLogP value of 3.62078 indicates that 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile?
The CAS number of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile is 23799-60-2.
What is the molecular formula of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile?
The molecular formula of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile is C10H6ClNS.
What is the molecular weight of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile?
The molecular weight of 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile is 206.99 g/mol.
Where can I buy 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile?
You can request a quote for 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.