2-(Benzylsulfanyl)pyrimidin-4-ol
TL;DR: 2-(Benzylsulfanyl)pyrimidin-4-ol (CAS 35967-03-4) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(benzylsulfanyl)pyrimidin-4-ol, 2-Benzylthiopyrimidon(4), 2-(Benzylthio)pyrimidin-4(3H)-one, S(Cc1ccccc1)c2nccc(O)n2, 2-benzylsulfanyl-1H-pyrimidin-6-one
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 35967-03-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=O)N2 |
| InChIKey | XLYQVVDCFZRIJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylsulfanyl)pyrimidin-4-ol (CAS 35967-03-4), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 2-benzylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Benzylsulfanyl)pyrimidin-4-ol
Property Insights of 2-(Benzylsulfanyl)pyrimidin-4-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)pyrimidin-4-ol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)pyrimidin-4-ol. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)pyrimidin-4-ol has 1 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 2-(Benzylsulfanyl)pyrimidin-4-ol?
The CAS number of 2-(Benzylsulfanyl)pyrimidin-4-ol is 35967-03-4.
What is the molecular formula of 2-(Benzylsulfanyl)pyrimidin-4-ol?
The molecular formula of 2-(Benzylsulfanyl)pyrimidin-4-ol is C11H10N2OS.
What is the molecular weight of 2-(Benzylsulfanyl)pyrimidin-4-ol?
The molecular weight of 2-(Benzylsulfanyl)pyrimidin-4-ol is 218.05 g/mol.
Where can I buy 2-(Benzylsulfanyl)pyrimidin-4-ol?
You can request a quote for 2-(Benzylsulfanyl)pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.