5-phenylsulfanyl-1H-pyrimidine-2,4-dione
TL;DR: 5-phenylsulfanyl-1H-pyrimidine-2,4-dione (CAS 1137-90-2) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylsulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 5-(phenylthio)uracil, 5-phenylsulfanyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 5-(phenylthio)-, 5-(Phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione, 5-(phenylsulfanyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 1137-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CNC(=O)NC2=O |
| InChIKey | MFORXTHLVUSZNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-phenylsulfanyl-1H-pyrimidine-2,4-dione (CAS 1137-90-2), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 5-phenylsulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione
Property Insights of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenylsulfanyl-1H-pyrimidine-2,4-dione. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-phenylsulfanyl-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-phenylsulfanyl-1H-pyrimidine-2,4-dione has 2 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 5-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The CAS number of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione is 1137-90-2.
What is the molecular formula of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The molecular formula of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione is C10H8N2O2S.
What is the molecular weight of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione?
The molecular weight of 5-phenylsulfanyl-1H-pyrimidine-2,4-dione is 220.03 g/mol.
Where can I buy 5-phenylsulfanyl-1H-pyrimidine-2,4-dione?
You can request a quote for 5-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 5-phenylsulfanyl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-phenylsulfanyl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.