Nonyl 3-picolinoyldithiocarbazate
TL;DR: Nonyl 3-picolinoyldithiocarbazate (CAS 63504-39-2) is a chemical compound with molecular formula C16H25N3OS2 and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl N-(pyridine-2-carbonylamino)carbamodithioate
Also Known As: Nonyl 3-picolinoyldithiocarbazate, nonyl N-(pyridine-2-carbonylamino)carbamodithioate, 2-Pyridinecarboxylic acid, 2-((nonylthio)thioxomethyl)hydrazide, N-[(Nonylsulfanyl)(sulfanyl)methylidene]pyridine-2-carbohydrazonic acid, RefChem:166493
| Molecular Formula | C16H25N3OS2 |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 4.0847 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.1439 |
| Heavy Atoms | 22 |
| Complexity | 440.2769 |
Chemical Identifiers
| CAS Number | 63504-39-2 |
|---|---|
| SMILES | CCCCCCCCCSC(=S)NNC(=O)C1=CC=CC=N1 |
Product Overview
Nonyl 3-picolinoyldithiocarbazate (CAS 63504-39-2), with molecular formula C16H25N3OS2 and molecular weight 339.14 g/mol. IUPAC: nonyl N-(pyridine-2-carbonylamino)carbamodithioate.
Chemical Property Profile of Nonyl 3-picolinoyldithiocarbazate
Property Insights of Nonyl 3-picolinoyldithiocarbazate
The XLogP value of 4.0847 indicates that Nonyl 3-picolinoyldithiocarbazate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, Nonyl 3-picolinoyldithiocarbazate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 3-picolinoyldithiocarbazate has 2 hydrogen bond donor(s) and 4 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 Nonyl 3-picolinoyldithiocarbazate?
The CAS number of Nonyl 3-picolinoyldithiocarbazate is 63504-39-2.
What is the molecular formula of Nonyl 3-picolinoyldithiocarbazate?
The molecular formula of Nonyl 3-picolinoyldithiocarbazate is C16H25N3OS2.
What is the molecular weight of Nonyl 3-picolinoyldithiocarbazate?
The molecular weight of Nonyl 3-picolinoyldithiocarbazate is 339.14 g/mol.
Where can I buy Nonyl 3-picolinoyldithiocarbazate?
You can request a quote for Nonyl 3-picolinoyldithiocarbazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 3-picolinoyldithiocarbazate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 3-picolinoyldithiocarbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.