![[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid structure](/static/products/874/874591-55-6.png)
[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
TL;DR: [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid (CAS 874591-55-6) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: ChemDiv1_008771, [(5,6-dimethyl-1h-benzimidazol-2-yl)thio]-acetic acid, KST-1A7834, [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid, 8607AE
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 874591-55-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)O |
| InChIKey | CRJORIIWBSOFIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid (CAS 874591-55-6), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Property Insights of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid 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
Frequently Asked Questions
What is the CAS number of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid?
The CAS number of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid is 874591-55-6.
What is the molecular formula of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid?
The molecular formula of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid is C11H12N2O2S.
What is the molecular weight of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid?
The molecular weight of [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid is 236.06 g/mol.
Where can I buy [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid?
You can request a quote for [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.