1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- (CAS 153686-98-7) is a chemical compound with molecular formula C8H13NS and molecular weight 155.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dimethylpyrrol-1-yl)ethanethiol
Also Known As: 2,5-Dimethyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-, 2,5-Dimethyl-1H-pyrrole-1-ethanethiol, 2-(2,5-dimethylpyrrol-1-yl)ethanethiol, 2,5-Dimethyl-1H-pyrrole-1-(ethanethiol)
Technical Specifications
| Molecular Formula | C8H13NS |
| Molecular Weight | 155.07687 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.07687 Da |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| SMILES | CC1=CC=C(N1CCS)C |
| InChIKey | CBMNWFJMFNLKQN-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- 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, 2,5-dimethyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- is 153686-98-7.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- is C8H13NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- is 155.07687 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.