![4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide structure](/static/products/6172/61720-63-6.webp)
4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide
TL;DR: 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide (CAS 61720-63-6) is a chemical compound with molecular formula C9H9BrN2O3S2 and molecular weight 335.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromobenzenecarbothioyl)-3-methylsulfonylurea
Also Known As: 1-(4-bromobenzenecarbothioyl)-3-methylsulfonylurea, 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide
| Molecular Formula | C9H9BrN2O3S2 |
|---|---|
| Molecular Weight | 335.92 g/mol |
| LogP | 1.3834 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.9238 |
| Heavy Atoms | 17 |
| Complexity | 539.8643 |
Chemical Identifiers
| CAS Number | 61720-63-6 |
|---|---|
| SMILES | CS(=O)(=O)NC(=O)NC(=S)C1=CC=C(C=C1)Br |
Product Overview
4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide (CAS 61720-63-6), with molecular formula C9H9BrN2O3S2 and molecular weight 335.92 g/mol. IUPAC: 1-(4-bromobenzenecarbothioyl)-3-methylsulfonylurea.
Chemical Property Profile of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide
Property Insights of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide
The XLogP value of 1.3834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide. Following Lipinski's Rule of Five, 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide 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-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide?
The CAS number of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide is 61720-63-6.
What is the molecular formula of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide?
The molecular formula of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide is C9H9BrN2O3S2.
What is the molecular weight of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide?
The molecular weight of 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide is 335.92 g/mol.
Where can I buy 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide?
You can request a quote for 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-N-[(methanesulfonyl)carbamoyl]benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.