2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
TL;DR: 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile (CAS 153461-22-4) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
Also Known As: 2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile, Fourneau 2268, Adamantan-1-ylmethyl-methyl-amine, 3646AE, 2-Amino-5-methyl-4-(p-tolyl)thiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C13H12N2S |
| Molecular Weight | 228.07211 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.07211 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=C2C#N)N)C |
| InChIKey | RHICPTFVQDHWOQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
Property Insights of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
The XLogP value of 3.9 indicates that 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The CAS number of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile is 153461-22-4.
What is the molecular formula of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The molecular formula of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile is C13H12N2S.
What is the molecular weight of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The molecular weight of 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile is 228.07211 g/mol.
Where can I buy 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
You can request a quote for 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.