![Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester structure](/static/products/1139/113917-99-0.webp)
Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester
TL;DR: Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester (CAS 113917-99-0) is a chemical compound with molecular formula C10H11N3O2S2 and molecular weight 269.02927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
Also Known As: 2-acetonyl 3-oxo 5-p-methoxyphenyl as.-triazine, Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester, ethyl 2-(5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate, Ethyl {[5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}acetate, Ethyl 2-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanylacetate
Technical Specifications
| Molecular Formula | C10H11N3O2S2 |
| Molecular Weight | 269.02927 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.02927 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)CSC1=NC(=NC=C1C#N)SC |
| InChIKey | XAZMFMCMOHPSNB-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester
Property Insights of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester?
The CAS number of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester is 113917-99-0.
What is the molecular formula of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester?
The molecular formula of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester is C10H11N3O2S2.
What is the molecular weight of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester?
The molecular weight of Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester is 269.02927 g/mol.
Where can I buy Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester?
You can request a quote for Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, [[5-cyano-2-(methylthio)-4-pyrimidinyl]thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.