N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide
TL;DR: N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide (CAS 331422-75-4) is a chemical compound with molecular formula C11H12N4O3S2 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
Also Known As: Not Available, N-(5-Methyl-isoxazol-3-yl)-4-thioureido-benzenesulfonamide, N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide, {4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}thiourea, [4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
| Molecular Formula | C11H12N4O3S2 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 1.43932 |
| Topological Polar Surface Area | 110.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0351 |
| Heavy Atoms | 20 |
| Complexity | 722.3815 |
Chemical Identifiers
| CAS Number | 331422-75-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N |
Product Overview
N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide (CAS 331422-75-4), with molecular formula C11H12N4O3S2 and molecular weight 312.04 g/mol. IUPAC: [4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea.
Chemical Property Profile of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide
Property Insights of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide
The XLogP value of 1.43932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide. The TPSA of 110.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide. Following Lipinski's Rule of Five, N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide has 3 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 N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide?
The CAS number of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide is 331422-75-4.
What is the molecular formula of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide?
The molecular formula of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide is C11H12N4O3S2.
What is the molecular weight of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide?
The molecular weight of N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide is 312.04 g/mol.
Where can I buy N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide?
You can request a quote for N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.