2-(Ethyldithio)benzoic acid
TL;DR: 2-(Ethyldithio)benzoic acid (CAS 26929-63-5) is a chemical compound with molecular formula C9H10O2S2 and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethyldisulfanyl)benzoic acid
Also Known As: 2-(Ethyldithio)benzoic acid, 2-(Ethyldisulfanyl)benzoic acid, Benzoic acid,2-(ethyldithio)-, 2-(ethyldisulfanyl)benzoicacid, o-Carboxyphenyl ethyl disulfide
| Molecular Formula | C9H10O2S2 |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.01222 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 26929-63-5 |
|---|---|
| SMILES | CCSSC1=CC=CC=C1C(=O)O |
| InChIKey | LNGQPNABYYRMBF-UHFFFAOYSA-N |
Product Overview
2-(Ethyldithio)benzoic acid (CAS 26929-63-5), with molecular formula C9H10O2S2 and molecular weight 214.01 g/mol. IUPAC: 2-(ethyldisulfanyl)benzoic acid.
Chemical Property Profile of 2-(Ethyldithio)benzoic acid
Property Insights of 2-(Ethyldithio)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethyldithio)benzoic acid. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethyldithio)benzoic acid. Following Lipinski's Rule of Five, 2-(Ethyldithio)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Ethyldithio)benzoic acid?
The CAS number of 2-(Ethyldithio)benzoic acid is 26929-63-5.
What is the molecular formula of 2-(Ethyldithio)benzoic acid?
The molecular formula of 2-(Ethyldithio)benzoic acid is C9H10O2S2.
What is the molecular weight of 2-(Ethyldithio)benzoic acid?
The molecular weight of 2-(Ethyldithio)benzoic acid is 214.01 g/mol.
Where can I buy 2-(Ethyldithio)benzoic acid?
You can request a quote for 2-(Ethyldithio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethyldithio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethyldithio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.