pyrrole-N-carbodithioic acid
TL;DR: pyrrole-N-carbodithioic acid (CAS 60795-39-3) is a chemical compound with molecular formula C5H5NS2 and molecular weight 142.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrole-1-carbodithioic acid
Also Known As: Pyrrole-1-carbodithioic Acid, pyrrole-N-carbodithioic acid, 1H-pyrrole-1-carbodithioic acid, 1H-Pyrrole-1-dithiocarboxylic acid
| Molecular Formula | C5H5NS2 |
|---|---|
| Molecular Weight | 142.99 g/mol |
| LogP | 1.5509 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.98634 |
| Heavy Atoms | 8 |
| Complexity | 178.31856 |
Chemical Identifiers
| CAS Number | 60795-39-3 |
|---|---|
| SMILES | C1=CN(C=C1)C(=S)S |
Product Overview
pyrrole-N-carbodithioic acid (CAS 60795-39-3), with molecular formula C5H5NS2 and molecular weight 142.99 g/mol. IUPAC: pyrrole-1-carbodithioic acid.
Chemical Property Profile of pyrrole-N-carbodithioic acid
Property Insights of pyrrole-N-carbodithioic acid
The XLogP value of 1.5509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrrole-N-carbodithioic acid. With a topological polar surface area (TPSA) of 4.93 Ų, pyrrole-N-carbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyrrole-N-carbodithioic acid has 1 hydrogen bond donor(s) and 1 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 pyrrole-N-carbodithioic acid?
The CAS number of pyrrole-N-carbodithioic acid is 60795-39-3.
What is the molecular formula of pyrrole-N-carbodithioic acid?
The molecular formula of pyrrole-N-carbodithioic acid is C5H5NS2.
What is the molecular weight of pyrrole-N-carbodithioic acid?
The molecular weight of pyrrole-N-carbodithioic acid is 142.99 g/mol.
Where can I buy pyrrole-N-carbodithioic acid?
You can request a quote for pyrrole-N-carbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrrole-N-carbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for pyrrole-N-carbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.