ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate
TL;DR: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate (CAS 168212-46-2) is a chemical compound with molecular formula C12H19NS2 and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate
Also Known As: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate, 1H-Pyrrole-2-carbodithioic acid, 4-ethyl-5-propyl-, ethyl ester, (4-ethyl-5-propyl-1H-pyrrol-2-yl)-ethylsulfanyl-methanethione, 1H-Pyrrole-2-carbodithioic acid,4-ethyl-5-propyl-,ethyl ester
| Molecular Formula | C12H19NS2 |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 3.9582 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.09589 |
| Heavy Atoms | 15 |
| Complexity | 328.36316 |
Chemical Identifiers
| CAS Number | 168212-46-2 |
|---|---|
| SMILES | CCCC1=C(C=C(N1)C(=S)SCC)CC |
Product Overview
ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate (CAS 168212-46-2), with molecular formula C12H19NS2 and molecular weight 241.10 g/mol. IUPAC: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate.
Chemical Property Profile of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate
Property Insights of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate
The XLogP value of 3.9582 indicates that ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate has 1 hydrogen bond donor(s) and 2 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 ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate?
The CAS number of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate is 168212-46-2.
What is the molecular formula of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate?
The molecular formula of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate is C12H19NS2.
What is the molecular weight of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate?
The molecular weight of ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate is 241.10 g/mol.
Where can I buy ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate?
You can request a quote for ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.