1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- (CAS 153687-00-4) is a chemical compound with molecular formula C10H17NS and molecular weight 183.10817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-5-propan-2-ylpyrrol-1-yl)ethanethiol
Also Known As: 2-Isopropyl 5-methyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-, 2-Methyl-5-(1-methylethyl)-1H-pyrrole-1-ethanethiol, 2-(2-methyl-5-propan-2-ylpyrrol-1-yl)ethanethiol, 2-Methyl-5-isopropyl-1H-pyrrole-1-(ethanethiol)
Technical Specifications
| Molecular Formula | C10H17NS |
| Molecular Weight | 183.10817 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10817 Da |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
| SMILES | CC1=CC=C(N1CCS)C(C)C |
| InChIKey | QRMCUTXWBFUSFB-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 5.9 Ų, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- 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-(1-methylethyl)-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- is 153687-00-4.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- is C10H17NS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- is 183.10817 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- 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-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.