2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
TL;DR: 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine (CAS 6203-95-8) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-prop-2-enylsulfanylpyrimidine
Also Known As: 4-(Allylthio)-2-phenylpyrimidine, Pyrimidine, 4-(allylthio)-2-phenyl-, 4-(allylsulfanyl)-2-phenylpyrimidine, 2-phenyl-4-prop-2-enylsulfanylpyrimidine, 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6203-95-8 |
|---|---|
| SMILES | C=CCSC1=NC(=NC=C1)C2=CC=CC=C2 |
| InChIKey | PWWLXLYEUHJYMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine (CAS 6203-95-8), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 2-phenyl-4-prop-2-enylsulfanylpyrimidine.
Chemical Property Profile of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
Property Insights of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
The XLogP value of 3.4 indicates that 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine 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-Phenyl-4-(2-propen-1-ylthio)-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine 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-Phenyl-4-(2-propen-1-ylthio)-pyrimidine?
The CAS number of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine is 6203-95-8.
What is the molecular formula of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine?
The molecular formula of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine is C13H12N2S.
What is the molecular weight of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine?
The molecular weight of 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine is 228.07 g/mol.
Where can I buy 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine?
You can request a quote for 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.