3-噻吩乙腈
TL;DR: 3-噻吩乙腈 (CAS 13781-53-8) 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.
3-噻吩乙腈
2-thiophen-3-ylacetonitrile
Also Known As: 3-Thiopheneacetonitrile, Thiophene-3-acetonitrile, 3-Thienylacetonitrile, 2-(Thiophen-3-yl)acetonitrile, 3-cyanomethylthiophene
| 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 | 13781-53-8 |
|---|---|
| SMILES | C1=CSC=C1CC#N |
| InChIKey | GWZCLMWEJWPFFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-噻吩乙腈 (CAS 13781-53-8), with molecular formula C6H5NS and molecular weight 123.01 g/mol. IUPAC: 2-thiophen-3-ylacetonitrile.
Chemical Property Profile of 3-噻吩乙腈
Property Insights of 3-噻吩乙腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-噻吩乙腈. With a topological polar surface area (TPSA) of 52.0 Ų, 3-噻吩乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-噻吩乙腈?
The CAS number of 3-噻吩乙腈 is 13781-53-8.
What is the molecular formula of 3-噻吩乙腈?
The molecular formula of 3-噻吩乙腈 is C6H5NS.
What is the molecular weight of 3-噻吩乙腈?
The molecular weight of 3-噻吩乙腈 is 123.01 g/mol.
Where can I buy 3-噻吩乙腈?
You can request a quote for 3-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 3-噻吩乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-噻吩乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.