N-butyl-2-sulfanyl-pyridine-3-carbothioamide
TL;DR: N-butyl-2-sulfanyl-pyridine-3-carbothioamide (CAS 154344-23-7) is a chemical compound with molecular formula C10H14N2S2 and molecular weight 226.05984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
Also Known As: N-butyl-2-sulfanyl-pyridine-3-carbothioamide, 3-Pyridinecarbothioamide, N-butyl-1,2-dihydro-2-thioxo-, N-butyl-2-sulfanylidene-1H-pyridine-3-carbothioamide, N-Butyl-1,2-dihydro-2-thioxo-3-pyridinecar-bothioamide
Technical Specifications
| Molecular Formula | C10H14N2S2 |
| Molecular Weight | 226.05984 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.05984 Da |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
| SMILES | CCCCNC(=S)C1=CC=CNC1=S |
| InChIKey | FLFWKJADUHPVKX-UHFFFAOYSA-N |
Chemical Property Profile of N-butyl-2-sulfanyl-pyridine-3-carbothioamide
Property Insights of N-butyl-2-sulfanyl-pyridine-3-carbothioamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-sulfanyl-pyridine-3-carbothioamide. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-sulfanyl-pyridine-3-carbothioamide. Following Lipinski's Rule of Five, N-butyl-2-sulfanyl-pyridine-3-carbothioamide has 2 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-butyl-2-sulfanyl-pyridine-3-carbothioamide?
The CAS number of N-butyl-2-sulfanyl-pyridine-3-carbothioamide is 154344-23-7.
What is the molecular formula of N-butyl-2-sulfanyl-pyridine-3-carbothioamide?
The molecular formula of N-butyl-2-sulfanyl-pyridine-3-carbothioamide is C10H14N2S2.
What is the molecular weight of N-butyl-2-sulfanyl-pyridine-3-carbothioamide?
The molecular weight of N-butyl-2-sulfanyl-pyridine-3-carbothioamide is 226.05984 g/mol.
Where can I buy N-butyl-2-sulfanyl-pyridine-3-carbothioamide?
You can request a quote for N-butyl-2-sulfanyl-pyridine-3-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-butyl-2-sulfanyl-pyridine-3-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-butyl-2-sulfanyl-pyridine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.