Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester
TL;DR: Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester (CAS 139359-11-8) is a chemical compound with molecular formula C11H12N2O6S and molecular weight 300.0416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-(2,4-dinitrophenyl)sulfanylacetate
Also Known As: Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester, isopropyl (2,4-dinitrophenylthio)acetate, propan-2-yl 2-[(2,4-dinitrophenyl)sulfanyl]acetate, propan-2-yl 2-(2,4-dinitrophenyl)sulfanylacetate, isopropyl 2-((2,4-dinitrophenyl)thio)acetate
Technical Specifications
| Molecular Formula | C11H12N2O6S |
| Molecular Weight | 300.0416 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.0416 Da |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
| SMILES | CC(C)OC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OIPRCIMWHWMSIZ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester
Property Insights of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester. The TPSA of 143.0 Ų indicates high polarity, suggesting Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl 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, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester?
The CAS number of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester is 139359-11-8.
What is the molecular formula of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester?
The molecular formula of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester is C11H12N2O6S.
What is the molecular weight of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester?
The molecular weight of Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester is 300.0416 g/mol.
Where can I buy Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester?
You can request a quote for Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2,4-dinitrophenyl)thio)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.