3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid
TL;DR: 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid (CAS 6736-42-1) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid
Also Known As: Thiourocanic acid, 2-Propenoic acid, 3-(2,3-dihydro-2-thioxo-1H-imidazol-4-yl)-, 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid, 3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl)prop-2-enoic acid
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 1.17009 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 336.35153 |
Chemical Identifiers
| CAS Number | 6736-42-1 |
|---|---|
| SMILES | C1=C(NC(=S)N1)C=CC(=O)O |
Product Overview
3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid (CAS 6736-42-1), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid
Property Insights of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid
The XLogP value of 1.17009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid. The TPSA of 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid has 3 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 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid is 6736-42-1.
What is the molecular formula of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid is C6H6N2O2S.
What is the molecular weight of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid is 170.01 g/mol.
Where can I buy 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.