2-噻吩乙腈
TL;DR: 2-噻吩乙腈 (CAS 20893-30-5) is a chemical compound with molecular formula C6H5NS and molecular weight 123.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-噻吩乙腈
2-thiophen-2-ylacetonitrile
Also Known As: 2-Thiopheneacetonitrile, 2-Thienylacetonitrile, 2-(Thiophen-2-yl)acetonitrile, Thiophene-2-acetonitrile, 2-(Cyanomethyl)thiophene
| Molecular Formula | C6H5NS |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.01427 |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 20893-30-5 |
|---|---|
| SMILES | C1=CSC(=C1)CC#N |
| InChIKey | CLSHQIDDCJTHAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-噻吩乙腈 (CAS 20893-30-5), with molecular formula C6H5NS and molecular weight 123.01 g/mol. IUPAC: 2-thiophen-2-ylacetonitrile.
Chemical Property Profile of 2-噻吩乙腈
Property Insights of 2-噻吩乙腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-噻吩乙腈. With a topological polar surface area (TPSA) of 52.0 Ų, 2-噻吩乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-噻吩乙腈 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-噻吩乙腈?
The CAS number of 2-噻吩乙腈 is 20893-30-5.
What is the molecular formula of 2-噻吩乙腈?
The molecular formula of 2-噻吩乙腈 is C6H5NS.
What is the molecular weight of 2-噻吩乙腈?
The molecular weight of 2-噻吩乙腈 is 123.01 g/mol.
Where can I buy 2-噻吩乙腈?
You can request a quote for 2-噻吩乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-噻吩乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-噻吩乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.