(5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
TL;DR: (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid (CAS 27231-37-4) 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.
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid, TimTec1_004513, 2-((6-Methyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid, BAS 16289554, 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 27231-37-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC(=O)O |
| InChIKey | BINCCLNWCUYMIO-UHFFFAOYSA-N |
Product Overview
(5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid (CAS 27231-37-4), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
Property Insights of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-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-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid?
The CAS number of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid is 27231-37-4.
What is the molecular formula of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid?
The molecular formula of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid is C10H10N2O2S.
What is the molecular weight of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid?
The molecular weight of (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid is 222.05 g/mol.
Where can I buy (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid?
You can request a quote for (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-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-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.