1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid
TL;DR: 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid (CAS 100440-64-0) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid
Also Known As: 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid, 1-ethyl-2-mercapto-1H-benzimidazole-5-carboxylic acid, 1-ethyl-2-thiobenzimidazole-5-carboxylic acid, 1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid, 1-Ethyl-2-mercapto-1h-benzo[d]imidazole-5-carboxylic acid
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.41699 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 582.61017 |
Chemical Identifiers
| CAS Number | 100440-64-0 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)O)NC1=S |
Product Overview
1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid (CAS 100440-64-0), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid.
Chemical Property Profile of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid
Property Insights of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid
The XLogP value of 2.41699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.02 Ų, 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid?
The CAS number of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid is 100440-64-0.
What is the molecular formula of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular formula of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid is C10H10N2O2S.
What is the molecular weight of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular weight of 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid is 222.05 g/mol.
Where can I buy 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid?
You can request a quote for 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.