5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile
TL;DR: 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile (CAS 372176-07-3) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-phenyl-2-sulfanylpyrrole-3-carbonitrile
Also Known As: 5-ethyl-1-phenyl-2-sulfanylpyrrole-3-carbonitrile, 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile, 5-ethyl-2-mercapto-1-phenyl-1H-pyrrole-3-carbonitrile
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.20008 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 535.0505 |
Chemical Identifiers
| CAS Number | 372176-07-3 |
|---|---|
| SMILES | CCC1=CC(=C(N1C2=CC=CC=C2)S)C#N |
Product Overview
5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile (CAS 372176-07-3), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 5-ethyl-1-phenyl-2-sulfanylpyrrole-3-carbonitrile.
Chemical Property Profile of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile
Property Insights of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile
The XLogP value of 3.20008 indicates that 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile 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 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile?
The CAS number of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile is 372176-07-3.
What is the molecular formula of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile is C13H12N2S.
What is the molecular weight of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile is 228.07 g/mol.
Where can I buy 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-1-phenyl-2-sulfanyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.