2-(Benzylsulfanyl)-4-chloropyrimidine
TL;DR: 2-(Benzylsulfanyl)-4-chloropyrimidine (CAS 78494-41-4) is a chemical compound with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-chloropyrimidine
Also Known As: 2-(benzylsulfanyl)-4-chloropyrimidine, 2-benzylsulfanyl-4-chloropyrimidine
| Molecular Formula | C11H9ClN2S |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.0175 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 78494-41-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=N2)Cl |
| InChIKey | VWJSUNDGDBAUKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylsulfanyl)-4-chloropyrimidine (CAS 78494-41-4), with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol. IUPAC: 2-benzylsulfanyl-4-chloropyrimidine.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-chloropyrimidine
Property Insights of 2-(Benzylsulfanyl)-4-chloropyrimidine
The XLogP value of 3.5 indicates that 2-(Benzylsulfanyl)-4-chloropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(Benzylsulfanyl)-4-chloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-chloropyrimidine has 0 hydrogen bond donor(s) and 3 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 2-(Benzylsulfanyl)-4-chloropyrimidine?
The CAS number of 2-(Benzylsulfanyl)-4-chloropyrimidine is 78494-41-4.
What is the molecular formula of 2-(Benzylsulfanyl)-4-chloropyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-4-chloropyrimidine is C11H9ClN2S.
What is the molecular weight of 2-(Benzylsulfanyl)-4-chloropyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-4-chloropyrimidine is 236.02 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-chloropyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-4-chloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4-chloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-chloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.