![[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid structure](/static/products/3129/312929-73-0.webp)
[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
TL;DR: [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid (CAS 312929-73-0) 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-(2-ethylsulfanylbenzimidazol-1-yl)acetic acid
Also Known As: ChemDiv3_003001, [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid, 2-(2-ethylsulfanylbenzimidazol-1-yl)acetic acid, BAS 00385245, 2-(2-(Ethylthio)-1H-benzo[d]imidazol-1-yl)acetic acid
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 312929-73-0 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2N1CC(=O)O |
| InChIKey | XKQRRVQMZXKVOH-UHFFFAOYSA-N |
Product Overview
[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid (CAS 312929-73-0), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 2-(2-ethylsulfanylbenzimidazol-1-yl)acetic acid.
Chemical Property Profile of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
Property Insights of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid. Following Lipinski's Rule of Five, [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic 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-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid?
The CAS number of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid is 312929-73-0.
What is the molecular formula of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid?
The molecular formula of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid is C11H12N2O2S.
What is the molecular weight of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid?
The molecular weight of [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid is 236.06 g/mol.
Where can I buy [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid?
You can request a quote for [2-(Ethylthio)-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-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.