6-Isopropyl-2-mercaptopyrimidin-4-OL
TL;DR: 6-Isopropyl-2-mercaptopyrimidin-4-OL (CAS 28456-53-3) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-Isopropylthiouracil, 6-ISOPROPYL-2-MERCAPTOPYRIMIDIN-4-OL, 6-Isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-isopropyl-2-mercaptopyrimidin-4(3H)-one, 6-isopropyl-2-sulfanylpyrimidin-4-ol
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.55589 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 321.6985 |
Chemical Identifiers
| CAS Number | 28456-53-3 |
|---|---|
| SMILES | CC(C)C1=CC(=O)NC(=S)N1 |
Product Overview
6-Isopropyl-2-mercaptopyrimidin-4-OL (CAS 28456-53-3), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-Isopropyl-2-mercaptopyrimidin-4-OL
Property Insights of 6-Isopropyl-2-mercaptopyrimidin-4-OL
The XLogP value of 1.55589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Isopropyl-2-mercaptopyrimidin-4-OL. With a topological polar surface area (TPSA) of 48.65 Ų, 6-Isopropyl-2-mercaptopyrimidin-4-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Isopropyl-2-mercaptopyrimidin-4-OL has 2 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 6-Isopropyl-2-mercaptopyrimidin-4-OL?
The CAS number of 6-Isopropyl-2-mercaptopyrimidin-4-OL is 28456-53-3.
What is the molecular formula of 6-Isopropyl-2-mercaptopyrimidin-4-OL?
The molecular formula of 6-Isopropyl-2-mercaptopyrimidin-4-OL is C7H10N2OS.
What is the molecular weight of 6-Isopropyl-2-mercaptopyrimidin-4-OL?
The molecular weight of 6-Isopropyl-2-mercaptopyrimidin-4-OL is 170.05 g/mol.
Where can I buy 6-Isopropyl-2-mercaptopyrimidin-4-OL?
You can request a quote for 6-Isopropyl-2-mercaptopyrimidin-4-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Isopropyl-2-mercaptopyrimidin-4-OL?
Yes, KEHONG BIO provides custom synthesis services for 6-Isopropyl-2-mercaptopyrimidin-4-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.