![2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid structure](/static/products/256/256232-29-8.png)
2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid
TL;DR: 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid (CAS 256232-29-8) 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-sulfanylideneimidazolidin-1-yl)methyl]benzoic acid
Also Known As: Benzoic acid, 2-[(2-thioxo-1-imidazolidinyl)methyl]-, 2-[(2-sulfanylideneimidazolidin-1-yl)methyl]benzoic Acid
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.0749 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 433.74768 |
Chemical Identifiers
| CAS Number | 256232-29-8 |
|---|---|
| SMILES | C1CN(C(=S)N1)CC2=CC=CC=C2C(=O)O |
Product Overview
2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid (CAS 256232-29-8), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 2-[(2-sulfanylideneimidazolidin-1-yl)methyl]benzoic acid.
Chemical Property Profile of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid
Property Insights of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid
The XLogP value of 1.0749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 52.57 Ų, 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid has 2 hydrogen bond donor(s) and 2 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-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid?
The CAS number of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid is 256232-29-8.
What is the molecular formula of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid?
The molecular formula of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid is C11H12N2O2S.
What is the molecular weight of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid?
The molecular weight of 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid is 236.06 g/mol.
Where can I buy 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid?
You can request a quote for 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Sulfanylideneimidazolidin-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.