2-Isopropyl-6-methylpyrimidine-4-thiol
TL;DR: 2-Isopropyl-6-methylpyrimidine-4-thiol (CAS 2463-81-2) is a chemical compound with molecular formula C8H12N2S and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
Also Known As: 2-isopropyl-6-methylpyrimidine-4-thiol, 6-methyl-2-(propan-2-yl)pyrimidine-4-thiol, 6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione, 2-isopropyl-4-methyl-pyrimidine-6-thiol, 2-Isopropyl-6-mercapto-4-methylpyrimidin
| Molecular Formula | C8H12N2S |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.57101 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07211 |
| Heavy Atoms | 11 |
| Complexity | 301.20554 |
Chemical Identifiers
| CAS Number | 2463-81-2 |
|---|---|
| SMILES | CC1=CC(=S)N=C(N1)C(C)C |
Product Overview
2-Isopropyl-6-methylpyrimidine-4-thiol (CAS 2463-81-2), with molecular formula C8H12N2S and molecular weight 168.07 g/mol. IUPAC: 6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.
Chemical Property Profile of 2-Isopropyl-6-methylpyrimidine-4-thiol
Property Insights of 2-Isopropyl-6-methylpyrimidine-4-thiol
The XLogP value of 2.57101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-6-methylpyrimidine-4-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 2-Isopropyl-6-methylpyrimidine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-6-methylpyrimidine-4-thiol 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-Isopropyl-6-methylpyrimidine-4-thiol?
The CAS number of 2-Isopropyl-6-methylpyrimidine-4-thiol is 2463-81-2.
What is the molecular formula of 2-Isopropyl-6-methylpyrimidine-4-thiol?
The molecular formula of 2-Isopropyl-6-methylpyrimidine-4-thiol is C8H12N2S.
What is the molecular weight of 2-Isopropyl-6-methylpyrimidine-4-thiol?
The molecular weight of 2-Isopropyl-6-methylpyrimidine-4-thiol is 168.07 g/mol.
Where can I buy 2-Isopropyl-6-methylpyrimidine-4-thiol?
You can request a quote for 2-Isopropyl-6-methylpyrimidine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-6-methylpyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-6-methylpyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.