S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate
TL;DR: S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate (CAS 29025-01-2) is a chemical compound with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2,4-dioxopyrimidine-1-carbothioate
Also Known As: NCIOpen2_001121, S-ethyl 2,4-dioxopyrimidine-1-carbothioate, S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate, s-ethyl 2,4-dioxo-3,4-dihydropyrimidine-1(2h)-carbothioate
| Molecular Formula | C7H8N2O3S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02556 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 29025-01-2 |
|---|---|
| SMILES | CCSC(=O)N1C=CC(=O)NC1=O |
| InChIKey | RGXYDEFGMCWUNZ-UHFFFAOYSA-N |
Product Overview
S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate (CAS 29025-01-2), with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol. IUPAC: S-ethyl 2,4-dioxopyrimidine-1-carbothioate.
Chemical Property Profile of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate
Property Insights of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate. Following Lipinski's Rule of Five, S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate has 1 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 S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate?
The CAS number of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate is 29025-01-2.
What is the molecular formula of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate?
The molecular formula of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate is C7H8N2O3S.
What is the molecular weight of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate?
The molecular weight of S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate is 200.03 g/mol.
Where can I buy S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate?
You can request a quote for S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 4-hydroxy-2-oxopyrimidine-1(2H)-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.