2-(Tert-butylsulfanyl)pyrimidine-4,6-diol
TL;DR: 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol (CAS 369605-67-4) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-(tert-butylsulfanyl)pyrimidine-4,6-diol, 2-(tert-butylthio)-6-hydroxypyrimidin-4(3H)-one, 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one, 2-(tert-butylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 369605-67-4 |
|---|---|
| SMILES | CC(C)(C)SC1=NC(=CC(=O)N1)O |
| InChIKey | YGWGHZWZKSCWIQ-UHFFFAOYSA-N |
Product Overview
2-(Tert-butylsulfanyl)pyrimidine-4,6-diol (CAS 369605-67-4), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol
Property Insights of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 4 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-(Tert-butylsulfanyl)pyrimidine-4,6-diol?
The CAS number of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol is 369605-67-4.
What is the molecular formula of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol?
The molecular formula of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol is C8H12N2O2S.
What is the molecular weight of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol?
The molecular weight of 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol is 200.06 g/mol.
Where can I buy 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol?
You can request a quote for 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylsulfanyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.