2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
TL;DR: 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid (CAS 58089-25-1) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
Also Known As: 2-Mercapto-5-benzimidazolecarboxylic acid, 2-Mercapto-1H-benzimidazole-5-carboxylic acid, 2-Mercaptobenzimidazole, 2-Mercapto-1H-benzo[d]imidazole-5-carboxylic acid, 5-Carboxy-2-mercaptobenzimidazole
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 58089-25-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=S)N2 |
| InChIKey | DCRZVUIGGYMOBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid (CAS 58089-25-1), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid.
Chemical Property Profile of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
Property Insights of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid has 3 hydrogen bond donor(s) and 3 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-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid?
The CAS number of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid is 58089-25-1.
What is the molecular formula of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular formula of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid is C8H6N2O2S.
What is the molecular weight of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid?
The molecular weight of 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid is 194.01 g/mol.
Where can I buy 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid?
You can request a quote for 2-sulfanylidene-2,3-dihydro-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 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.