1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- (CAS 153687-03-7) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-5-phenylpyrrol-1-yl)ethanethiol
Also Known As: 2-Methyl 5-phenyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-, 2-Methyl-5-phenyl-1H-pyrrole-1-ethanethiol, 2-(2-methyl-5-phenylpyrrol-1-yl)ethanethiol, 2-Methyl-5-phenyl-1H-pyrrole-1-(ethanethiol)
Technical Specifications
| Molecular Formula | C13H15NS |
| Molecular Weight | 217.09251 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.09251 Da |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
| SMILES | CC1=CC=C(N1CCS)C2=CC=CC=C2 |
| InChIKey | AWHUAMXUUMBKMQ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- 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-phenyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- is 153687-03-7.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- is C13H15NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- is 217.09251 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- 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-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.