2-Ethoxycarbonylmethylenethiouracil
TL;DR: 2-Ethoxycarbonylmethylenethiouracil (CAS 51269-66-0) is a chemical compound with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Also Known As: 2-Ethoxycarbonylmethylenethiouracil, ethyl [(4-hydroxy-2-pyrimidinyl)thio]acetate, Ethyl [(4-hydroxypyrimidin-2-yl)sulfanyl]acetate, ethyl[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate, (4-hydroxy-2-pyrimidinylthio)acetic acid, ethyl ester
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 51269-66-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=CC(=O)N1 |
| InChIKey | VSBADAJKYSZMDY-UHFFFAOYSA-N |
Product Overview
2-Ethoxycarbonylmethylenethiouracil (CAS 51269-66-0), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: ethyl 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of 2-Ethoxycarbonylmethylenethiouracil
Property Insights of 2-Ethoxycarbonylmethylenethiouracil
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxycarbonylmethylenethiouracil. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxycarbonylmethylenethiouracil. Following Lipinski's Rule of Five, 2-Ethoxycarbonylmethylenethiouracil has 1 hydrogen bond donor(s) and 5 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-Ethoxycarbonylmethylenethiouracil?
The CAS number of 2-Ethoxycarbonylmethylenethiouracil is 51269-66-0.
What is the molecular formula of 2-Ethoxycarbonylmethylenethiouracil?
The molecular formula of 2-Ethoxycarbonylmethylenethiouracil is C8H10N2O3S.
What is the molecular weight of 2-Ethoxycarbonylmethylenethiouracil?
The molecular weight of 2-Ethoxycarbonylmethylenethiouracil is 214.04 g/mol.
Where can I buy 2-Ethoxycarbonylmethylenethiouracil?
You can request a quote for 2-Ethoxycarbonylmethylenethiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxycarbonylmethylenethiouracil?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxycarbonylmethylenethiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.