1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea
TL;DR: 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea (CAS 61720-74-9) is a chemical compound with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-(4-methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea, 1-(4-methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylure, 4-Methyl-N-[(4-methylbenzene-1-sulfonyl)carbamoyl]benzene-1-carbothioamide, RefChem:225441
| Molecular Formula | C16H16N2O3S2 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.66704 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.06024 |
| Heavy Atoms | 23 |
| Complexity | 826.634 |
Chemical Identifiers
| CAS Number | 61720-74-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea (CAS 61720-74-9), with molecular formula C16H16N2O3S2 and molecular weight 348.06 g/mol. IUPAC: 1-(4-methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea
Property Insights of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea
The XLogP value of 2.66704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea. Following Lipinski's Rule of Five, 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea 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 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea?
The CAS number of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea is 61720-74-9.
What is the molecular formula of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea?
The molecular formula of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea is C16H16N2O3S2.
What is the molecular weight of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea?
The molecular weight of 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea is 348.06 g/mol.
Where can I buy 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea?
You can request a quote for 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzenecarbothioyl)-3-(4-methylphenyl)sulfonylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.