o-Chlorophenyl thioacetic acid
TL;DR: o-Chlorophenyl thioacetic acid (CAS 18619-18-6) is a chemical compound with molecular formula C8H7ClO2S and molecular weight 201.98553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chlorophenyl)sulfanylacetic acid
Also Known As: o-Chlorophenyl thioacetate, O-CHLOROPHENYL THIOACETIC ACID, o-chlorophenylthioacetate, [(2-chlorophenyl)thio]acetic acid, 2-((2-Chlorophenyl)thio)acetic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2S |
| Molecular Weight | 201.98553 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.98553 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | C1=CC=C(C(=C1)SCC(=O)O)Cl |
| InChIKey | DRTNNSJQBCUQML-UHFFFAOYSA-N |
Chemical Property Profile of o-Chlorophenyl thioacetic acid
Property Insights of o-Chlorophenyl thioacetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorophenyl thioacetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Chlorophenyl thioacetic acid. Following Lipinski's Rule of Five, o-Chlorophenyl thioacetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Chlorophenyl thioacetic acid?
The CAS number of o-Chlorophenyl thioacetic acid is 18619-18-6.
What is the molecular formula of o-Chlorophenyl thioacetic acid?
The molecular formula of o-Chlorophenyl thioacetic acid is C8H7ClO2S.
What is the molecular weight of o-Chlorophenyl thioacetic acid?
The molecular weight of o-Chlorophenyl thioacetic acid is 201.98553 g/mol.
Where can I buy o-Chlorophenyl thioacetic acid?
You can request a quote for o-Chlorophenyl thioacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Chlorophenyl thioacetic acid?
Yes, CoreyChem provides custom synthesis services for o-Chlorophenyl thioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.