![Benzo[b]thiophene-3-acetonitrile structure](/static/products/3216/3216-48-6.webp)
Benzo[b]thiophene-3-acetonitrile
TL;DR: Benzo[b]thiophene-3-acetonitrile (CAS 3216-48-6) is a chemical compound with molecular formula C10H7NS and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-3-yl)acetonitrile
Also Known As: Benzo[b]thiophene-3-acetonitrile, 2-(1-benzothiophen-3-yl)acetonitrile, 2-(Benzo[b]thiophen-3-yl)acetonitrile, Thianaphthene-3-acetonirile, Benzo(b)thiophene-3-acetonitrile
| Molecular Formula | C10H7NS |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.02992 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3216-48-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CC#N |
| InChIKey | DEELHLMCCWZFFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[b]thiophene-3-acetonitrile (CAS 3216-48-6), with molecular formula C10H7NS and molecular weight 173.03 g/mol. IUPAC: 2-(1-benzothiophen-3-yl)acetonitrile.
Chemical Property Profile of Benzo[b]thiophene-3-acetonitrile
Property Insights of Benzo[b]thiophene-3-acetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene-3-acetonitrile. With a topological polar surface area (TPSA) of 52.0 Ų, Benzo[b]thiophene-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[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
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-3-acetonitrile?
The CAS number of Benzo[b]thiophene-3-acetonitrile is 3216-48-6.
What is the molecular formula of Benzo[b]thiophene-3-acetonitrile?
The molecular formula of Benzo[b]thiophene-3-acetonitrile is C10H7NS.
What is the molecular weight of Benzo[b]thiophene-3-acetonitrile?
The molecular weight of Benzo[b]thiophene-3-acetonitrile is 173.03 g/mol.
Where can I buy Benzo[b]thiophene-3-acetonitrile?
You can request a quote for Benzo[b]thiophene-3-acetonitrile 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-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.