1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- (CAS 153686-91-0) is a chemical compound with molecular formula C11H19NS and molecular weight 197.12383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethanethiol
Also Known As: 2-Isobutyl 5-methyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-, 2-Methyl-5-(2-methylpropyl)-1H-pyrrole-1-ethanethiol, 2-[2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethanethiol, 2-Methyl-5-isobutyl-1H-pyrrole-1-(ethanethiol)
Technical Specifications
| Molecular Formula | C11H19NS |
| Molecular Weight | 197.12383 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.12383 Da |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
| SMILES | CC1=CC=C(N1CCS)CC(C)C |
| InChIKey | PRIUUJWQSGAHNU-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- 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-methyl-5-(2-methylpropyl)-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- is 153686-91-0.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- is C11H19NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- is 197.12383 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.