4-Chloro-2-methylsulfanylmethyl-pyrimidine
TL;DR: 4-Chloro-2-methylsulfanylmethyl-pyrimidine (CAS 633301-23-2) is a chemical compound with molecular formula C6H7ClN2S and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(methylsulfanylmethyl)pyrimidine
Also Known As: 4-chloro-2-(methylsulfanylmethyl)pyrimidine, Pyrimidine, 4-chloro-2-[(methylthio)methyl]-, 4-CHLORO-2-METHYLSULFANYLMETHYL-PYRIMIDINE
| Molecular Formula | C6H7ClN2S |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 1.993 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.00185 |
| Heavy Atoms | 10 |
| Complexity | 216.65771 |
Chemical Identifiers
| CAS Number | 633301-23-2 |
|---|---|
| SMILES | CSCC1=NC=CC(=N1)Cl |
Product Overview
4-Chloro-2-methylsulfanylmethyl-pyrimidine (CAS 633301-23-2), with molecular formula C6H7ClN2S and molecular weight 174.00 g/mol. IUPAC: 4-chloro-2-(methylsulfanylmethyl)pyrimidine.
Chemical Property Profile of 4-Chloro-2-methylsulfanylmethyl-pyrimidine
Property Insights of 4-Chloro-2-methylsulfanylmethyl-pyrimidine
The XLogP value of 1.993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylsulfanylmethyl-pyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Chloro-2-methylsulfanylmethyl-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylsulfanylmethyl-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 4-Chloro-2-methylsulfanylmethyl-pyrimidine?
The CAS number of 4-Chloro-2-methylsulfanylmethyl-pyrimidine is 633301-23-2.
What is the molecular formula of 4-Chloro-2-methylsulfanylmethyl-pyrimidine?
The molecular formula of 4-Chloro-2-methylsulfanylmethyl-pyrimidine is C6H7ClN2S.
What is the molecular weight of 4-Chloro-2-methylsulfanylmethyl-pyrimidine?
The molecular weight of 4-Chloro-2-methylsulfanylmethyl-pyrimidine is 174.00 g/mol.
Where can I buy 4-Chloro-2-methylsulfanylmethyl-pyrimidine?
You can request a quote for 4-Chloro-2-methylsulfanylmethyl-pyrimidine 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-methylsulfanylmethyl-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylsulfanylmethyl-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.