2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile
TL;DR: 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile (CAS 63647-03-0) is a chemical compound with molecular formula C9H6N2S and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrol-1-ylthiophene-3-carbonitrile
Also Known As: 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile, 2-ethyl-1h-indene, 2-pyrrol-1-ylthiophene-3-carbonitrile, 2- thiophene-3-carbonitrile, 2-pyrrolylthiophene-3-carbonitrile
| Molecular Formula | C9H6N2S |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.41048 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02516 |
| Heavy Atoms | 12 |
| Complexity | 405.92044 |
Chemical Identifiers
| CAS Number | 63647-03-0 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=CS2)C#N |
Product Overview
2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile (CAS 63647-03-0), with molecular formula C9H6N2S and molecular weight 174.03 g/mol. IUPAC: 2-pyrrol-1-ylthiophene-3-carbonitrile.
Chemical Property Profile of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile
Property Insights of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile
The XLogP value of 2.41048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile has 0 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 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile?
The CAS number of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile is 63647-03-0.
What is the molecular formula of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile?
The molecular formula of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile is C9H6N2S.
What is the molecular weight of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile?
The molecular weight of 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile is 174.03 g/mol.
Where can I buy 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile?
You can request a quote for 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Pyrrol-1-yl)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.