![4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide structure](/static/products/5917/591735-66-9.webp)
4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide
TL;DR: 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide (CAS 591735-66-9) is a chemical compound with molecular formula C17H16N4OS2 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide
Also Known As: 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide, AN-988/41693079, N-(4-ethylbenzoyl)-N'-(5-methyl-2,1,3-benzothiadiazol-4-yl)thiourea, 1-(4-ETHYLBENZOYL)-3-(5-METHYL-2,1,3-BENZOTHIADIAZOL-4-YL)THIOUREA
| Molecular Formula | C17H16N4OS2 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.68892 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.07657 |
| Heavy Atoms | 24 |
| Complexity | 902.5995 |
Chemical Identifiers
| CAS Number | 591735-66-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)C |
Product Overview
4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide (CAS 591735-66-9), with molecular formula C17H16N4OS2 and molecular weight 356.08 g/mol. IUPAC: 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide
Property Insights of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide
The XLogP value of 3.68892 indicates that 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide?
The CAS number of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide is 591735-66-9.
What is the molecular formula of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide?
The molecular formula of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide is C17H16N4OS2.
What is the molecular weight of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide?
The molecular weight of 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide is 356.08 g/mol.
Where can I buy 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide?
You can request a quote for 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.