1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
TL;DR: 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea (CAS 61720-78-3) is a chemical compound with molecular formula C13H12N2O3S3 and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
Also Known As: 1-(4-methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea, 1-(p-tolylsulfonyl)-3-(thiophene-2-carbothioyl)urea, N-[(4-Methylbenzene-1-sulfonyl)carbamoyl]thiophene-2-carbothioamide, 2-Thiophenecarbothioamide, N-[[[(4-methylphenyl)sulfonyl]amino]carbonyl]-
| Molecular Formula | C13H12N2O3S3 |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | 2.42012 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.001 |
| Heavy Atoms | 21 |
| Complexity | 750.469 |
Chemical Identifiers
| CAS Number | 61720-78-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=S)C2=CC=CS2 |
Product Overview
1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea (CAS 61720-78-3), with molecular formula C13H12N2O3S3 and molecular weight 340.00 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea.
Chemical Property Profile of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
Property Insights of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea
The XLogP value of 2.42012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea 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 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea?
The CAS number of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea is 61720-78-3.
What is the molecular formula of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea?
The molecular formula of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea is C13H12N2O3S3.
What is the molecular weight of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea?
The molecular weight of 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea is 340.00 g/mol.
Where can I buy 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea?
You can request a quote for 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)sulfonyl-3-(thiophene-2-carbothioyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.