(2-Mercapto-1H-benzimidazol-1-yl)acetic acid
TL;DR: (2-Mercapto-1H-benzimidazol-1-yl)acetic acid (CAS 26345-74-4) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid
Also Known As: (2-Mercapto-1H-benzimidazol-1-yl)acetic acid, 2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid, 2-(2-sulfanylidene-3H-benzoimidazol-1-yl)acetic Acid, (2-Thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid, (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 26345-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)N2CC(=O)O |
| InChIKey | ORJCLROZBHZJJB-UHFFFAOYSA-N |
Product Overview
(2-Mercapto-1H-benzimidazol-1-yl)acetic acid (CAS 26345-74-4), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid.
Chemical Property Profile of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid
Property Insights of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Mercapto-1H-benzimidazol-1-yl)acetic acid. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Mercapto-1H-benzimidazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (2-Mercapto-1H-benzimidazol-1-yl)acetic acid has 2 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-Mercapto-1H-benzimidazol-1-yl)acetic acid?
The CAS number of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid is 26345-74-4.
What is the molecular formula of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid?
The molecular formula of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid is C9H8N2O2S.
What is the molecular weight of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid?
The molecular weight of (2-Mercapto-1H-benzimidazol-1-yl)acetic acid is 208.03 g/mol.
Where can I buy (2-Mercapto-1H-benzimidazol-1-yl)acetic acid?
You can request a quote for (2-Mercapto-1H-benzimidazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Mercapto-1H-benzimidazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Mercapto-1H-benzimidazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.