Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester
TL;DR: Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester (CAS 103038-53-5) is a chemical compound with molecular formula C10H11ClO2S2 and molecular weight 261.9889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(sulfanyl)propyl 4-chlorobenzoate
Also Known As: Disulfanyl deriv., BRL 637, 2,3-Dimercaptopropyl p-chlorobenzoate, 2,3-bis(sulfanyl)propyl 4-chlorobenzoate, 2,3-Disulfanylpropyl 4-chlorobenzoate
Technical Specifications
| Molecular Formula | C10H11ClO2S2 |
| Molecular Weight | 261.9889 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 28.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.9889 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | C1=CC(=CC=C1C(=O)OCC(CS)S)Cl |
| InChIKey | UJCJVOYPSDNLRN-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester
Property Insights of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester
The XLogP value of 3.0 indicates that Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester has 2 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 Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester?
The CAS number of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester is 103038-53-5.
What is the molecular formula of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester?
The molecular formula of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester is C10H11ClO2S2.
What is the molecular weight of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester?
The molecular weight of Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester is 261.9889 g/mol.
Where can I buy Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester?
You can request a quote for Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-chloro-, 2,3-dimercaptopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.