3-Methylthiophene-2-carbonitrile
TL;DR: 3-Methylthiophene-2-carbonitrile (CAS 55406-13-8) 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-methylthiophene-2-carbonitrile
Also Known As: 3-Methylthiophene-2-carbonitrile, 2-Cyano-3-methylthiophene, 3-Methyl-2-thiophenecarbonitrile, 1H,2H-Octafluorocyclopentane, 3-methyl-thiophene-2-carbonitrile
| Molecular Formula | C6H5NS |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.01427 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 55406-13-8 |
|---|---|
| SMILES | CC1=C(SC=C1)C#N |
| InChIKey | ALZHYEITUZEZMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylthiophene-2-carbonitrile (CAS 55406-13-8), with molecular formula C6H5NS and molecular weight 123.01 g/mol. IUPAC: 3-methylthiophene-2-carbonitrile.
Chemical Property Profile of 3-Methylthiophene-2-carbonitrile
Property Insights of 3-Methylthiophene-2-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Methylthiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylthiophene-2-carbonitrile 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-Methylthiophene-2-carbonitrile?
The CAS number of 3-Methylthiophene-2-carbonitrile is 55406-13-8.
What is the molecular formula of 3-Methylthiophene-2-carbonitrile?
The molecular formula of 3-Methylthiophene-2-carbonitrile is C6H5NS.
What is the molecular weight of 3-Methylthiophene-2-carbonitrile?
The molecular weight of 3-Methylthiophene-2-carbonitrile is 123.01 g/mol.
Where can I buy 3-Methylthiophene-2-carbonitrile?
You can request a quote for 3-Methylthiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.