pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
TL;DR: pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate (CAS 66528-36-7) is a chemical compound with molecular formula C13H19N3OS2 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
Also Known As: pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate, Pentyl 1-methyl-2-(pyridin-2-ylcarbonyl)hydrazinecarbodithioate, Pentyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioate
| Molecular Formula | C13H19N3OS2 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.09695 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 66528-36-7 |
|---|---|
| SMILES | CCCCCSC(=S)N(C)NC(=O)C1=CC=CC=N1 |
| InChIKey | CUCGVXREABKSOH-UHFFFAOYSA-N |
Product Overview
pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate (CAS 66528-36-7), with molecular formula C13H19N3OS2 and molecular weight 297.10 g/mol. IUPAC: pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate.
Chemical Property Profile of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
Property Insights of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
The XLogP value of 3.5 indicates that pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate. Following Lipinski's Rule of Five, pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate has 1 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 pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate?
The CAS number of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate is 66528-36-7.
What is the molecular formula of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate?
The molecular formula of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate is C13H19N3OS2.
What is the molecular weight of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate?
The molecular weight of pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate is 297.10 g/mol.
Where can I buy pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate?
You can request a quote for pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.