1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- (CAS 153687-02-6) is a chemical compound with molecular formula C12H21NS and molecular weight 211.13947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-5-pentylpyrrol-1-yl)ethanethiol
Also Known As: 2-Methyl 5-pentyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-, 2-Methyl-5-pentyl-1H-pyrrole-1-ethanethiol, 2-(2-methyl-5-pentylpyrrol-1-yl)ethanethiol, 2-Methyl-5-pentyl-1H-pyrrole-1-(ethanethiol)
Technical Specifications
| Molecular Formula | C12H21NS |
| Molecular Weight | 211.13947 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.13947 Da |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
| SMILES | CCCCCC1=CC=C(N1CCS)C |
| InChIKey | TXKHTBIOMVKBCL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-
The XLogP value of 3.6 indicates that 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- 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-methyl-5-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- 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-pentyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- is 153687-02-6.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- is C12H21NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- is 211.13947 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- 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-pentyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.