4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine
TL;DR: 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine (CAS 13480-96-1) is a chemical compound with molecular formula C7H9ClN2S and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-ethylsulfanyl-5-methylpyrimidine
Also Known As: 4-chloro-2-ethylsulfanyl-5-methylpyrimidine, 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine, 4-chloro-2-(ethylthio)-5-methylPyrimidine, 4-CHLORO-2-ETHYLSULFANYL-5-METHYL-PYRIMIDINE, 2-Aethylmercapto-4-chlor-5-methyl-pyrimidin
| Molecular Formula | C7H9ClN2S |
|---|---|
| Molecular Weight | 188.02 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 | 188.0175 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 13480-96-1 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)Cl)C |
| InChIKey | PHKSIZQWMQKMPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine (CAS 13480-96-1), with molecular formula C7H9ClN2S and molecular weight 188.02 g/mol. IUPAC: 4-chloro-2-ethylsulfanyl-5-methylpyrimidine.
Chemical Property Profile of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine
Property Insights of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine 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 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine?
The CAS number of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine is 13480-96-1.
What is the molecular formula of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine?
The molecular formula of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine is C7H9ClN2S.
What is the molecular weight of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine?
The molecular weight of 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine is 188.02 g/mol.
Where can I buy 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine?
You can request a quote for 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.