4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid
TL;DR: 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid (CAS 148720-11-0) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-sulfanylideneimidazolidin-1-yl)benzoic acid
Also Known As: 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid, 4-(2-Mercapto-4,5-dihydro-1H-imidazol-1-yl)benzoic acid, 4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid, 4-(2-sulfanyl-2-imidazolinyl)benzoic acid, 4-(2-thioxoimidazolidin-1-yl)benzoic acid
Technical Specifications
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.0463 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | C1CN(C(=S)N1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | KGCOQHIOPCCJDZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid
Property Insights of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(2-sulfanylideneimidazolidin-1-yl)benzoic 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
What is the CAS number of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid?
The CAS number of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid is 148720-11-0.
What is the molecular formula of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid?
The molecular formula of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid is C10H10N2O2S.
What is the molecular weight of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid?
The molecular weight of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid is 222.0463 g/mol.
Where can I buy 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid?
You can request a quote for 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.