1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- (CAS 153687-01-5) 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-butyl-5-methylpyrrol-1-yl)ethanethiol
Also Known As: 2-Butyl-5-methyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-, 2-(2-butyl-5-methylpyrrol-1-yl)ethanethiol, 2-Methyl-5-butyl-1H-pyrrole-1-(ethanethiol), 2-(2-butyl-5-methyl-1H-pyrrol-1-yl)ethane-1-thiol
Technical Specifications
| Molecular Formula | C11H19NS |
| Molecular Weight | 197.12383 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.12383 Da |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
| SMILES | CCCCC1=CC=C(N1CCS)C |
| InChIKey | HYPJBJPQHQDPPM-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-
The XLogP value of 3.0 indicates that 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-butyl-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-butyl-5-methyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- is 153687-01-5.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- is C11H19NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- is 197.12383 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-butyl-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-butyl-5-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.