![4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate structure](/static/products/436/436093-24-2.png)
4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate
TL;DR: 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate (CAS 436093-24-2) is a chemical compound with molecular formula C13H11N2O2S2- and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(thiophen-2-ylmethylcarbamothioylamino)benzoate
Also Known As: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate, 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate
| Molecular Formula | C13H11N2O2S2- |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 1.5982 |
| Topological Polar Surface Area | 64.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.02618 |
| Heavy Atoms | 19 |
| Complexity | 564.839 |
Chemical Identifiers
| CAS Number | 436093-24-2 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)[O-] |
Product Overview
4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate (CAS 436093-24-2), with molecular formula C13H11N2O2S2- and molecular weight 291.03 g/mol. IUPAC: 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate.
Chemical Property Profile of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate
Property Insights of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate
The XLogP value of 1.5982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate. The TPSA of 64.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate. Following Lipinski's Rule of Five, 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate has 2 hydrogen bond donor(s) and 4 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 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate?
The CAS number of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate is 436093-24-2.
What is the molecular formula of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate?
The molecular formula of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate is C13H11N2O2S2-.
What is the molecular weight of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate?
The molecular weight of 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate is 291.03 g/mol.
Where can I buy 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate?
You can request a quote for 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Sulfanyl{[(thiophen-2-yl)methyl]imino}methyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.