3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile
TL;DR: 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile (CAS 339111-50-1) is a chemical compound with molecular formula C13H8N2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenylthiophene-2,5-dicarbonitrile
Also Known As: 3-methyl-4-phenyl-2,5-thiophenedicarbonitrile, 3-methyl-4-phenylthiophene-2,5-dicarbonitrile, 9J-025
| Molecular Formula | C13H8N2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 3.46688 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.04082 |
| Heavy Atoms | 16 |
| Complexity | 597.3433 |
Chemical Identifiers
| CAS Number | 339111-50-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C2=CC=CC=C2)C#N)C#N |
Product Overview
3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile (CAS 339111-50-1), with molecular formula C13H8N2S and molecular weight 224.04 g/mol. IUPAC: 3-methyl-4-phenylthiophene-2,5-dicarbonitrile.
Chemical Property Profile of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile
Property Insights of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile
The XLogP value of 3.46688 indicates that 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile 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 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile?
The CAS number of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile is 339111-50-1.
What is the molecular formula of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile?
The molecular formula of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile is C13H8N2S.
What is the molecular weight of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile?
The molecular weight of 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile is 224.04 g/mol.
Where can I buy 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile?
You can request a quote for 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-2,5-thiophenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.