1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-
TL;DR: 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl- (CAS 153687-04-8) is a chemical compound with molecular formula C13H14ClNS and molecular weight 251.05354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-chlorophenyl)-5-methylpyrrol-1-yl]ethanethiol
Also Known As: 2-(2-Chlorophenyl) 5-methyl N-ethanethiol pyrrole, 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-, 2-(2-Chlorophenyl)-5-methyl-1H-pyrrole-1-ethanethiol, 2-[2-(2-chlorophenyl)-5-methylpyrrol-1-yl]ethanethiol, 2-[2-(2-chlorophenyl)-5-methyl-1H-pyrrol-1-yl]ethane-1-thiol
Technical Specifications
| Molecular Formula | C13H14ClNS |
| Molecular Weight | 251.05354 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 5.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05354 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CC1=CC=C(N1CCS)C2=CC=CC=C2Cl |
| InChIKey | AUVVDCDMIWKAJF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-
Property Insights of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-
The XLogP value of 3.6 indicates that 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-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-(2-chlorophenyl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-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-(2-chlorophenyl)-5-methyl-?
The CAS number of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl- is 153687-04-8.
What is the molecular formula of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-?
The molecular formula of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl- is C13H14ClNS.
What is the molecular weight of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-?
The molecular weight of 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl- is 251.05354 g/mol.
Where can I buy 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl-?
You can request a quote for 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-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-(2-chlorophenyl)-5-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrrole-1-ethanethiol, 2-(2-chlorophenyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.