4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide
TL;DR: 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide (CAS 260802-45-7) is a chemical compound with molecular formula C13H14ClNS and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyrrole
Also Known As: 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide, 1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyrrole, 4-chlorobenzyl 2-(1h-pyrrol-1-yl)ethyl sulfide, 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)pyrrole, 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-1H-pyrrole
| Molecular Formula | C13H14ClNS |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 4.0749 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.05354 |
| Heavy Atoms | 16 |
| Complexity | 408.00745 |
Chemical Identifiers
| CAS Number | 260802-45-7 |
|---|---|
| SMILES | C1=CN(C=C1)CCSCC2=CC=C(C=C2)Cl |
Product Overview
4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide (CAS 260802-45-7), with molecular formula C13H14ClNS and molecular weight 251.05 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyrrole.
Chemical Property Profile of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide
Property Insights of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide
The XLogP value of 4.0749 indicates that 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide?
The CAS number of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide is 260802-45-7.
What is the molecular formula of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide?
The molecular formula of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide is C13H14ClNS.
What is the molecular weight of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide?
The molecular weight of 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide is 251.05 g/mol.
Where can I buy 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide?
You can request a quote for 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl 2-(1H-pyrrol-1-yl)ethyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.