5-Acetylthiophene-2-carbonitrile
TL;DR: 5-Acetylthiophene-2-carbonitrile (CAS 26830-96-6) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetylthiophene-2-carbonitrile
Also Known As: 5-acetylthiophene-2-carbonitrile, 2-ACETYL-5-CYANOTHIOPHENE, 5-cyano-2-acetylthiophene, 2-Acetyl-5-cyanotiophene, Maybridge1_000101
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 1.82238 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 294.7999 |
Chemical Identifiers
| CAS Number | 26830-96-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C#N |
Product Overview
5-Acetylthiophene-2-carbonitrile (CAS 26830-96-6), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 5-acetylthiophene-2-carbonitrile.
Chemical Property Profile of 5-Acetylthiophene-2-carbonitrile
Property Insights of 5-Acetylthiophene-2-carbonitrile
The XLogP value of 1.82238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylthiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 5-Acetylthiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetylthiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-Acetylthiophene-2-carbonitrile?
The CAS number of 5-Acetylthiophene-2-carbonitrile is 26830-96-6.
What is the molecular formula of 5-Acetylthiophene-2-carbonitrile?
The molecular formula of 5-Acetylthiophene-2-carbonitrile is C7H5NOS.
What is the molecular weight of 5-Acetylthiophene-2-carbonitrile?
The molecular weight of 5-Acetylthiophene-2-carbonitrile is 151.01 g/mol.
Where can I buy 5-Acetylthiophene-2-carbonitrile?
You can request a quote for 5-Acetylthiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylthiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylthiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.