2-(Methylsulfanyl)-5-phenylpyrimidine
TL;DR: 2-(Methylsulfanyl)-5-phenylpyrimidine (CAS 31408-20-5) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-phenylpyrimidine
Also Known As: 2-(Methylsulfanyl)-5-phenylpyrimidine, 2-(Methylthio)-5-phenylpyrimidine, 2-methylsulfanyl-5-phenylpyrimidine, methylsulfanylphenylpyrimidine, 2-methylthio-5-phenylpyrimidine
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 31408-20-5 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)C2=CC=CC=C2 |
| InChIKey | XWLUWHOSZCALLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylsulfanyl)-5-phenylpyrimidine (CAS 31408-20-5), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 2-methylsulfanyl-5-phenylpyrimidine.
Chemical Property Profile of 2-(Methylsulfanyl)-5-phenylpyrimidine
Property Insights of 2-(Methylsulfanyl)-5-phenylpyrimidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)-5-phenylpyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(Methylsulfanyl)-5-phenylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-5-phenylpyrimidine 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-(Methylsulfanyl)-5-phenylpyrimidine?
The CAS number of 2-(Methylsulfanyl)-5-phenylpyrimidine is 31408-20-5.
What is the molecular formula of 2-(Methylsulfanyl)-5-phenylpyrimidine?
The molecular formula of 2-(Methylsulfanyl)-5-phenylpyrimidine is C11H10N2S.
What is the molecular weight of 2-(Methylsulfanyl)-5-phenylpyrimidine?
The molecular weight of 2-(Methylsulfanyl)-5-phenylpyrimidine is 202.06 g/mol.
Where can I buy 2-(Methylsulfanyl)-5-phenylpyrimidine?
You can request a quote for 2-(Methylsulfanyl)-5-phenylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-5-phenylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-5-phenylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.