![3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole structure](/static/products/5403/54031-34-4.webp)
3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole
TL;DR: 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole (CAS 54031-34-4) is a chemical compound with molecular formula C8H13NS and molecular weight 155.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylsulfanylprop-1-enyl)-3,4-dihydro-2H-pyrrole
Also Known As: 3,4-Dihydro-5-[2-(methylthio)-1-propenyl ]-2h-pyrrole
| Molecular Formula | C8H13NS |
|---|---|
| Molecular Weight | 155.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.07687 |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 54031-34-4 |
|---|---|
| SMILES | CC(=CC1=NCCC1)SC |
| InChIKey | KXBFKDOTCGOHRJ-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole (CAS 54031-34-4), with molecular formula C8H13NS and molecular weight 155.08 g/mol. IUPAC: 5-(2-methylsulfanylprop-1-enyl)-3,4-dihydro-2H-pyrrole.
Chemical Property Profile of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole
Property Insights of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole. With a topological polar surface area (TPSA) of 37.7 Ų, 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole 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 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole?
The CAS number of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole is 54031-34-4.
What is the molecular formula of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole?
The molecular formula of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole is C8H13NS.
What is the molecular weight of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole?
The molecular weight of 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole is 155.08 g/mol.
Where can I buy 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole?
You can request a quote for 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.