m-Allylthioureidobenzoic acid
TL;DR: m-Allylthioureidobenzoic acid (CAS 500-48-1) 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.
3-(prop-2-enylcarbamothioylamino)benzoic acid
Also Known As: m-Allylthioureidobenzoic acid, 3- benzoicacid, Allyl(m-carboxyphenyl)thiourea, Allyl-m-carboxyphenylthiocarbamide, 3-(prop-2-enylcarbamothioylamino)benzoic acid
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.8572 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 418.20053 |
Chemical Identifiers
| CAS Number | 500-48-1 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=CC(=C1)C(=O)O |
Product Overview
m-Allylthioureidobenzoic acid (CAS 500-48-1), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 3-(prop-2-enylcarbamothioylamino)benzoic acid.
Chemical Property Profile of m-Allylthioureidobenzoic acid
Property Insights of m-Allylthioureidobenzoic acid
The XLogP value of 1.8572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Allylthioureidobenzoic acid. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Allylthioureidobenzoic acid. Following Lipinski's Rule of Five, m-Allylthioureidobenzoic 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 m-Allylthioureidobenzoic acid?
The CAS number of m-Allylthioureidobenzoic acid is 500-48-1.
What is the molecular formula of m-Allylthioureidobenzoic acid?
The molecular formula of m-Allylthioureidobenzoic acid is C11H12N2O2S.
What is the molecular weight of m-Allylthioureidobenzoic acid?
The molecular weight of m-Allylthioureidobenzoic acid is 236.06 g/mol.
Where can I buy m-Allylthioureidobenzoic acid?
You can request a quote for m-Allylthioureidobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Allylthioureidobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for m-Allylthioureidobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.