Benzoic acid, p-chlorothio-, O-ethyl ester
TL;DR: Benzoic acid, p-chlorothio-, O-ethyl ester (CAS 13915-60-1) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.00627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-ethyl 4-chlorobenzenecarbothioate
Also Known As: Ethyl 4-chlorothiobenzoate, Ethyl 4-chlorothionobenzoate, o-ethyl 4-chlorobenzenecarbothioate, Benzoic acid, p-chlorothio-, O-ethyl ester, p-Chlorothiobenzoic acid O-ethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClOS |
| Molecular Weight | 200.00627 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.00627 Da |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
| SMILES | CCOC(=S)C1=CC=C(C=C1)Cl |
| InChIKey | ZSRGLQQAHXRPJC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-chlorothio-, O-ethyl ester
Property Insights of Benzoic acid, p-chlorothio-, O-ethyl ester
The XLogP value of 3.4 indicates that Benzoic acid, p-chlorothio-, O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Benzoic acid, p-chlorothio-, O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-chlorothio-, O-ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-chlorothio-, O-ethyl ester?
The CAS number of Benzoic acid, p-chlorothio-, O-ethyl ester is 13915-60-1.
What is the molecular formula of Benzoic acid, p-chlorothio-, O-ethyl ester?
The molecular formula of Benzoic acid, p-chlorothio-, O-ethyl ester is C9H9ClOS.
What is the molecular weight of Benzoic acid, p-chlorothio-, O-ethyl ester?
The molecular weight of Benzoic acid, p-chlorothio-, O-ethyl ester is 200.00627 g/mol.
Where can I buy Benzoic acid, p-chlorothio-, O-ethyl ester?
You can request a quote for Benzoic acid, p-chlorothio-, O-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-chlorothio-, O-ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-chlorothio-, O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.