4-(3-Allylthioureido)benzoic acid
TL;DR: 4-(3-Allylthioureido)benzoic acid (CAS 1142-29-6) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(prop-2-enylcarbamothioylamino)benzoic acid
Also Known As: 4-(3-allylthioureido)benzoic acid, 4-(3-allylthioureido)benzoicacid, 4-(prop-2-enylcarbamothioylamino)benzoic acid, 4-(3-allylthioureido) benzoic acid, 4-(allylcarbamothioylamino)benzoic acid
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | C=CCNC(=S)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | GYUVRZXGVDBGSA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Allylthioureido)benzoic acid
Property Insights of 4-(3-Allylthioureido)benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Allylthioureido)benzoic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Allylthioureido)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Allylthioureido)benzoic acid has 3 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-(3-Allylthioureido)benzoic acid?
The CAS number of 4-(3-Allylthioureido)benzoic acid is 1142-29-6.
What is the molecular formula of 4-(3-Allylthioureido)benzoic acid?
The molecular formula of 4-(3-Allylthioureido)benzoic acid is C11H12N2O2S.
What is the molecular weight of 4-(3-Allylthioureido)benzoic acid?
The molecular weight of 4-(3-Allylthioureido)benzoic acid is 236.06195 g/mol.
Where can I buy 4-(3-Allylthioureido)benzoic acid?
You can request a quote for 4-(3-Allylthioureido)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Allylthioureido)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Allylthioureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.