Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester
TL;DR: Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester (CAS 139326-37-7) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.05653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-(2-nitrophenyl)sulfanylacetate
Also Known As: Propan-2-yl 2-(2-nitrophenyl)sulfanylacetate, Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester, Propan-2-yl [(2-nitrophenyl)sulfanyl]acetate, 2-Nitrophenylthio-acetic acid, isopropyl ester, 2-(2-Nitrophenylthio)acetic acid isopropyl ester
Technical Specifications
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.05653 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.05653 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CC(C)OC(=O)CSC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | PFEAWWPWSYSAPT-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester
Property Insights of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester
The XLogP value of 3.0 indicates that Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester has 0 hydrogen bond donor(s) and 5 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-nitrophenyl)thio)-, 1-methylethyl ester?
The CAS number of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester is 139326-37-7.
What is the molecular formula of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester?
The molecular formula of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester is C11H13NO4S.
What is the molecular weight of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester?
The molecular weight of Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester is 255.05653 g/mol.
Where can I buy Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester?
You can request a quote for Acetic acid, ((2-nitrophenyl)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-nitrophenyl)thio)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2-nitrophenyl)thio)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.