2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile
TL;DR: 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile (CAS 10413-34-0) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-tert-butylthiophene-3-carbonitrile
Also Known As: 2-amino-4-tert-butylthiophene-3-carbonitrile, Maybridge3_003750, 2-Amino-4-(tert-butyl)thiophene-3-carbonitrile, 2-amino-3-cyano-4-t-butylthiophene, IDI1_015137
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 10413-34-0 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=C1C#N)N |
| InChIKey | HLCATPHPMNURNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile (CAS 10413-34-0), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 2-amino-4-tert-butylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile
Property Insights of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile
The XLogP value of 3.2 indicates that 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile 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-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile 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
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile?
The CAS number of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile is 10413-34-0.
What is the molecular formula of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile?
The molecular formula of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile is C9H12N2S.
What is the molecular weight of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile?
The molecular weight of 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile is 180.07 g/mol.
Where can I buy 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile?
You can request a quote for 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.