N-(2,2-dimethylpropyl)pyridine-3-carbothioamide
TL;DR: N-(2,2-dimethylpropyl)pyridine-3-carbothioamide (CAS 163227-14-3) is a chemical compound with molecular formula C11H16N2S and molecular weight 208.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,2-dimethylpropyl)pyridine-3-carbothioamide
Also Known As: N-neopentylpyridine-3-carbothioamide, N-(2,2-dimethylpropyl)pyridine-3-carbothioamide
Technical Specifications
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.10342 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10342 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | CC(C)(C)CNC(=S)C1=CN=CC=C1 |
| InChIKey | AMUBFJGTOWVTDE-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide
Property Insights of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-dimethylpropyl)pyridine-3-carbothioamide. With a topological polar surface area (TPSA) of 57.0 Ų, N-(2,2-dimethylpropyl)pyridine-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-dimethylpropyl)pyridine-3-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide?
The CAS number of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide is 163227-14-3.
What is the molecular formula of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide?
The molecular formula of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide is C11H16N2S.
What is the molecular weight of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide?
The molecular weight of N-(2,2-dimethylpropyl)pyridine-3-carbothioamide is 208.10342 g/mol.
Where can I buy N-(2,2-dimethylpropyl)pyridine-3-carbothioamide?
You can request a quote for N-(2,2-dimethylpropyl)pyridine-3-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,2-dimethylpropyl)pyridine-3-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(2,2-dimethylpropyl)pyridine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.