Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester
TL;DR: Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester (CAS 109963-13-5) is a chemical compound with molecular formula C10H9ClOS2 and molecular weight 243.97833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(thiiran-2-ylmethyl) 4-chlorobenzenecarbothioate
Also Known As: Episulphide deriv., BRL 649, p-Chlorothiobenzoic acid S-2,3-epithiopropyl ester, S-(thiiran-2-ylmethyl) 4-chlorobenzenecarbothioate, 5-17-03-00055 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C10H9ClOS2 |
| Molecular Weight | 243.97833 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97833 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1C(S1)CSC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | SZLZSEGHHKJSBT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester
Property Insights of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester
The XLogP value of 3.4 indicates that Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester has 0 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 Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester?
The CAS number of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester is 109963-13-5.
What is the molecular formula of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester?
The molecular formula of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester is C10H9ClOS2.
What is the molecular weight of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester?
The molecular weight of Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester is 243.97833 g/mol.
Where can I buy Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester?
You can request a quote for Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.