4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile
TL;DR: 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile (CAS 339111-57-8) is a chemical compound with molecular formula C14H10N4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophene-2-carbonitrile
Also Known As: 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile, 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophene-2-carbonitrile, 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile, 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-5-yl)-2-thiophenecarbonitrile, 4-methyl-3-phenyl-5-(4H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
| Molecular Formula | C14H10N4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.3803 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.06262 |
| Heavy Atoms | 19 |
| Complexity | 735.8515 |
Chemical Identifiers
| CAS Number | 339111-57-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C2=CC=CC=C2)C#N)C3=NC=NN3 |
Product Overview
4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile (CAS 339111-57-8), with molecular formula C14H10N4S and molecular weight 266.06 g/mol. IUPAC: 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-5-yl)thiophene-2-carbonitrile.
Chemical Property Profile of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile
Property Insights of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile
The XLogP value of 3.3803 indicates that 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile. Following Lipinski's Rule of Five, 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile has 1 hydrogen bond donor(s) and 4 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 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile?
The CAS number of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile is 339111-57-8.
What is the molecular formula of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile?
The molecular formula of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile is C14H10N4S.
What is the molecular weight of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile?
The molecular weight of 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile is 266.06 g/mol.
Where can I buy 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile?
You can request a quote for 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.