2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
TL;DR: 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone (CAS 222047-13-4) is a chemical compound with molecular formula C12H11NOS and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone, 2-(phenylsulfanyl)-1-(1H-pyrrol-2-yl)ethan-1-one, 1-(1H-Pyrrole-2-yl)-2-(phenylthio)ethanone, J1.133.583G
| Molecular Formula | C12H11NOS |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 2.9897 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.05614 |
| Heavy Atoms | 15 |
| Complexity | 422.14746 |
Chemical Identifiers
| CAS Number | 222047-13-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=O)C2=CC=CN2 |
Product Overview
2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone (CAS 222047-13-4), with molecular formula C12H11NOS and molecular weight 217.06 g/mol. IUPAC: 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
Property Insights of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
The XLogP value of 2.9897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone. With a topological polar surface area (TPSA) of 32.86 Ų, 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone 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 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The CAS number of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone is 222047-13-4.
What is the molecular formula of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The molecular formula of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone is C12H11NOS.
What is the molecular weight of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone?
The molecular weight of 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone is 217.06 g/mol.
Where can I buy 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone?
You can request a quote for 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylsulfanyl-1-(1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.