1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- (CAS 153686-88-5) is a chemical compound with molecular formula C9H15NS and molecular weight 169.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-ethyl-5-methylpyrrol-1-yl)ethanethiol
Also Known As: 2,5-Ethyl methyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-, 2-Ethyl-5-methyl-1H-pyrrole-1-ethanethiol, 2-(2-ethyl-5-methylpyrrol-1-yl)ethanethiol, 1H-Pyrrole-1-ethanethiol,2-ethyl-5-methyl-
Technical Specifications
| Molecular Formula | C9H15NS |
| Molecular Weight | 169.09251 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.09251 Da |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
| SMILES | CCC1=CC=C(N1CCS)C |
| InChIKey | CENVXGXTLISIBT-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- is 153686-88-5.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- is C9H15NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- is 169.09251 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-ethyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.