![2-Chlorobenzo[b]thiophene-3-acetonitrile structure](/static/products/157/157549-49-0.webp)
2-Chlorobenzo[b]thiophene-3-acetonitrile
TL;DR: 2-Chlorobenzo[b]thiophene-3-acetonitrile (CAS 157549-49-0) is a chemical compound with molecular formula C10H6ClNS and molecular weight 206.99095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloro-1-benzothiophen-3-yl)acetonitrile
Also Known As: Benzo[b]thiophene-3-acetonitrile, 2-chloro-, 2-Chlorobenzo[b]thiophene-3-acetonitrile, (2-Chloro-1-benzothien-3-yl)acetonitrile, (2-Chloro-1-benzothien-3-yl)acetonitrile #, (2-chlorobenzo[b]thiophen-3-yl)acetonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6ClNS |
| Molecular Weight | 206.99095 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.99095 Da |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)Cl)CC#N |
| InChIKey | CBWNFQCLFYLDJQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chlorobenzo[b]thiophene-3-acetonitrile
Property Insights of 2-Chlorobenzo[b]thiophene-3-acetonitrile
The XLogP value of 3.6 indicates that 2-Chlorobenzo[b]thiophene-3-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 2-Chlorobenzo[b]thiophene-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzo[b]thiophene-3-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
What is the CAS number of 2-Chlorobenzo[b]thiophene-3-acetonitrile?
The CAS number of 2-Chlorobenzo[b]thiophene-3-acetonitrile is 157549-49-0.
What is the molecular formula of 2-Chlorobenzo[b]thiophene-3-acetonitrile?
The molecular formula of 2-Chlorobenzo[b]thiophene-3-acetonitrile is C10H6ClNS.
What is the molecular weight of 2-Chlorobenzo[b]thiophene-3-acetonitrile?
The molecular weight of 2-Chlorobenzo[b]thiophene-3-acetonitrile is 206.99095 g/mol.
Where can I buy 2-Chlorobenzo[b]thiophene-3-acetonitrile?
You can request a quote for 2-Chlorobenzo[b]thiophene-3-acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chlorobenzo[b]thiophene-3-acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Chlorobenzo[b]thiophene-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.