2-Mercapto-4-methylpyrimidine
TL;DR: 2-Mercapto-4-methylpyrimidine (CAS 35071-52-4) is a chemical compound with molecular formula C5H6N2S and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1H-pyrimidine-2-thione
Also Known As: 2-Mercapto-4-methylpyrimidine, 4-methylpyrimidine-2-thiol, 4-Methylpyrimidine-2(1H)-thione, 6-methyl-1H-pyrimidine-2-thione, 4-Methyl-2(1H)-pyrimidinethione
| Molecular Formula | C5H6N2S |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.44761 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02517 |
| Heavy Atoms | 8 |
| Complexity | 227.87032 |
Chemical Identifiers
| CAS Number | 35071-52-4 |
|---|---|
| SMILES | CC1=CC=NC(=S)N1 |
Product Overview
2-Mercapto-4-methylpyrimidine (CAS 35071-52-4), with molecular formula C5H6N2S and molecular weight 126.03 g/mol. IUPAC: 6-methyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 2-Mercapto-4-methylpyrimidine
Property Insights of 2-Mercapto-4-methylpyrimidine
The XLogP value of 1.44761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-4-methylpyrimidine. With a topological polar surface area (TPSA) of 28.68 Ų, 2-Mercapto-4-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-4-methylpyrimidine has 1 hydrogen bond donor(s) and 2 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-Mercapto-4-methylpyrimidine?
The CAS number of 2-Mercapto-4-methylpyrimidine is 35071-52-4.
What is the molecular formula of 2-Mercapto-4-methylpyrimidine?
The molecular formula of 2-Mercapto-4-methylpyrimidine is C5H6N2S.
What is the molecular weight of 2-Mercapto-4-methylpyrimidine?
The molecular weight of 2-Mercapto-4-methylpyrimidine is 126.03 g/mol.
Where can I buy 2-Mercapto-4-methylpyrimidine?
You can request a quote for 2-Mercapto-4-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.