2-Methylthio-1-vinylpyrrole
TL;DR: 2-Methylthio-1-vinylpyrrole (CAS 161958-76-5) is a chemical compound with molecular formula C7H9NS and molecular weight 139.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-2-methylsulfanylpyrrole
Also Known As: 2-methylthio-1-vinylpyrrole, 1-ethenyl-2-methylsulfanylpyrrole, 1-ethenyl-2-methylsulfanyl-pyrrole, 1H-Pyrrole, 1-ethenyl-2-(methylthio)-
| Molecular Formula | C7H9NS |
|---|---|
| Molecular Weight | 139.05 g/mol |
| LogP | 2.3105 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.04558 |
| Heavy Atoms | 9 |
| Complexity | 202.436 |
Chemical Identifiers
| CAS Number | 161958-76-5 |
|---|---|
| SMILES | CSC1=CC=CN1C=C |
Product Overview
2-Methylthio-1-vinylpyrrole (CAS 161958-76-5), with molecular formula C7H9NS and molecular weight 139.05 g/mol. IUPAC: 1-ethenyl-2-methylsulfanylpyrrole.
Chemical Property Profile of 2-Methylthio-1-vinylpyrrole
Property Insights of 2-Methylthio-1-vinylpyrrole
The XLogP value of 2.3105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthio-1-vinylpyrrole. With a topological polar surface area (TPSA) of 4.93 Ų, 2-Methylthio-1-vinylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylthio-1-vinylpyrrole has 0 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 2-Methylthio-1-vinylpyrrole?
The CAS number of 2-Methylthio-1-vinylpyrrole is 161958-76-5.
What is the molecular formula of 2-Methylthio-1-vinylpyrrole?
The molecular formula of 2-Methylthio-1-vinylpyrrole is C7H9NS.
What is the molecular weight of 2-Methylthio-1-vinylpyrrole?
The molecular weight of 2-Methylthio-1-vinylpyrrole is 139.05 g/mol.
Where can I buy 2-Methylthio-1-vinylpyrrole?
You can request a quote for 2-Methylthio-1-vinylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthio-1-vinylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthio-1-vinylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.