3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
TL;DR: 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione (CAS 69139-08-8) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
Also Known As: Peakdale1_001593, 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(phenylthio)-, 3-Methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione, 3-methyl-6-(phenylsulfanyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.2248 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 570.1219 |
Chemical Identifiers
| CAS Number | 69139-08-8 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)SC2=CC=CC=C2 |
Product Overview
3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione (CAS 69139-08-8), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
Property Insights of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
The XLogP value of 1.2248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 54.86 Ų, 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione 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 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The CAS number of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione is 69139-08-8.
What is the molecular formula of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The molecular formula of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione is C11H10N2O2S.
What is the molecular weight of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The molecular weight of 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione is 234.05 g/mol.
Where can I buy 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione?
You can request a quote for 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.