methyl N-(pyridine-4-carbonylamino)carbamodithioate
TL;DR: methyl N-(pyridine-4-carbonylamino)carbamodithioate (CAS 66528-28-7) is a chemical compound with molecular formula C8H9N3OS2 and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(pyridine-4-carbonylamino)carbamodithioate
Also Known As: starbld0003189, methyl N-(pyridine-4-carbonylamino)carbamodithioate, methyl 3-isonicotinoyldithiocarbazate, NCI60_012187, Methyl 2-isonicotinoylhydrazine-1-carbodithioate
| Molecular Formula | C8H9N3OS2 |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 0.9639 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0187 |
| Heavy Atoms | 14 |
| Complexity | 328.6181 |
Chemical Identifiers
| CAS Number | 66528-28-7 |
|---|---|
| SMILES | CSC(=S)NNC(=O)C1=CC=NC=C1 |
Product Overview
methyl N-(pyridine-4-carbonylamino)carbamodithioate (CAS 66528-28-7), with molecular formula C8H9N3OS2 and molecular weight 227.02 g/mol. IUPAC: methyl N-(pyridine-4-carbonylamino)carbamodithioate.
Chemical Property Profile of methyl N-(pyridine-4-carbonylamino)carbamodithioate
Property Insights of methyl N-(pyridine-4-carbonylamino)carbamodithioate
The XLogP value of 0.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(pyridine-4-carbonylamino)carbamodithioate. With a topological polar surface area (TPSA) of 54.02 Ų, methyl N-(pyridine-4-carbonylamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(pyridine-4-carbonylamino)carbamodithioate 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 methyl N-(pyridine-4-carbonylamino)carbamodithioate?
The CAS number of methyl N-(pyridine-4-carbonylamino)carbamodithioate is 66528-28-7.
What is the molecular formula of methyl N-(pyridine-4-carbonylamino)carbamodithioate?
The molecular formula of methyl N-(pyridine-4-carbonylamino)carbamodithioate is C8H9N3OS2.
What is the molecular weight of methyl N-(pyridine-4-carbonylamino)carbamodithioate?
The molecular weight of methyl N-(pyridine-4-carbonylamino)carbamodithioate is 227.02 g/mol.
Where can I buy methyl N-(pyridine-4-carbonylamino)carbamodithioate?
You can request a quote for methyl N-(pyridine-4-carbonylamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(pyridine-4-carbonylamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(pyridine-4-carbonylamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.