N-hexyl-2-sulfanyl-pyridine-3-carbothioamide
TL;DR: N-hexyl-2-sulfanyl-pyridine-3-carbothioamide (CAS 154344-25-9) is a chemical compound with molecular formula C12H18N2S2 and molecular weight 254.09114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-hexyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
Also Known As: N-Hexyl-2-mercaptopyridine-3-carbothioamide, N-hexyl-2-sulfanylpyridine-3-carbothioamide, N-hexyl-2-sulfanyl-pyridine-3-carbothioamide, J1.273.112D, 3-Pyridinecarbothioamide, N-hexyl-1,2-dihydro-2-thioxo-
Technical Specifications
| Molecular Formula | C12H18N2S2 |
| Molecular Weight | 254.09114 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.09114 Da |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
| SMILES | CCCCCCNC(=S)C1=CC=CNC1=S |
| InChIKey | HYZGTELOEXCDJP-UHFFFAOYSA-N |
Chemical Property Profile of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide
Property Insights of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide
The XLogP value of 3.2 indicates that N-hexyl-2-sulfanyl-pyridine-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-hexyl-2-sulfanyl-pyridine-3-carbothioamide. Following Lipinski's Rule of Five, N-hexyl-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-hexyl-2-sulfanyl-pyridine-3-carbothioamide?
The CAS number of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide is 154344-25-9.
What is the molecular formula of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide?
The molecular formula of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide is C12H18N2S2.
What is the molecular weight of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide?
The molecular weight of N-hexyl-2-sulfanyl-pyridine-3-carbothioamide is 254.09114 g/mol.
Where can I buy N-hexyl-2-sulfanyl-pyridine-3-carbothioamide?
You can request a quote for N-hexyl-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-hexyl-2-sulfanyl-pyridine-3-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-hexyl-2-sulfanyl-pyridine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.