4-Bromomethyl-2-methylthiopyrimidine
TL;DR: 4-Bromomethyl-2-methylthiopyrimidine (CAS 135645-63-5) is a chemical compound with molecular formula C6H7BrN2S and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2-methylsulfanylpyrimidine
Also Known As: 4-BROMOMETHYL-2-METHYLTHIOPYRIMIDINE, 4-(bromomethyl)-2-methylsulfanylpyrimidine, 4-(bromomethyl)-2-(methylthio)pyrimidine, 2-CHLORO-6-NITRO-3-PHENYLQUINOLINE, 4-(bromomethyl)-2-methylsulfanyl-pyrimidine
| Molecular Formula | C6H7BrN2S |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 2.0934 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.95132 |
| Heavy Atoms | 10 |
| Complexity | 197.40771 |
Chemical Identifiers
| CAS Number | 135645-63-5 |
|---|---|
| SMILES | CSC1=NC=CC(=N1)CBr |
Product Overview
4-Bromomethyl-2-methylthiopyrimidine (CAS 135645-63-5), with molecular formula C6H7BrN2S and molecular weight 217.95 g/mol. IUPAC: 4-(bromomethyl)-2-methylsulfanylpyrimidine.
Chemical Property Profile of 4-Bromomethyl-2-methylthiopyrimidine
Property Insights of 4-Bromomethyl-2-methylthiopyrimidine
The XLogP value of 2.0934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromomethyl-2-methylthiopyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Bromomethyl-2-methylthiopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromomethyl-2-methylthiopyrimidine 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-Bromomethyl-2-methylthiopyrimidine?
The CAS number of 4-Bromomethyl-2-methylthiopyrimidine is 135645-63-5.
What is the molecular formula of 4-Bromomethyl-2-methylthiopyrimidine?
The molecular formula of 4-Bromomethyl-2-methylthiopyrimidine is C6H7BrN2S.
What is the molecular weight of 4-Bromomethyl-2-methylthiopyrimidine?
The molecular weight of 4-Bromomethyl-2-methylthiopyrimidine is 217.95 g/mol.
Where can I buy 4-Bromomethyl-2-methylthiopyrimidine?
You can request a quote for 4-Bromomethyl-2-methylthiopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromomethyl-2-methylthiopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromomethyl-2-methylthiopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.