Ethanethioic acid, S-(4-nitrophenyl) ester
TL;DR: Ethanethioic acid, S-(4-nitrophenyl) ester (CAS 15119-62-7) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-nitrophenyl) ethanethioate
Also Known As: S-(4-nitrophenyl) ethanethioate, p-Nitrophenylthiol acetate, 4-Nitrophenylthiol acetate, S-(p-Nitrophenyl) thioacetate, Benzenethiol, p-nitro-, acetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO3S |
| Molecular Weight | 197.01466 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.01466 Da |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
| SMILES | CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QCGPFSMQZNLBCA-UHFFFAOYSA-N |
Chemical Property Profile of Ethanethioic acid, S-(4-nitrophenyl) ester
Property Insights of Ethanethioic acid, S-(4-nitrophenyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(4-nitrophenyl) ester. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, S-(4-nitrophenyl) ester. Following Lipinski's Rule of Five, Ethanethioic acid, S-(4-nitrophenyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanethioic acid, S-(4-nitrophenyl) ester?
The CAS number of Ethanethioic acid, S-(4-nitrophenyl) ester is 15119-62-7.
What is the molecular formula of Ethanethioic acid, S-(4-nitrophenyl) ester?
The molecular formula of Ethanethioic acid, S-(4-nitrophenyl) ester is C8H7NO3S.
What is the molecular weight of Ethanethioic acid, S-(4-nitrophenyl) ester?
The molecular weight of Ethanethioic acid, S-(4-nitrophenyl) ester is 197.01466 g/mol.
Where can I buy Ethanethioic acid, S-(4-nitrophenyl) ester?
You can request a quote for Ethanethioic acid, S-(4-nitrophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanethioic acid, S-(4-nitrophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Ethanethioic acid, S-(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.