![4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide structure](/static/products/6205/620590-30-9.webp)
4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide
TL;DR: 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide (CAS 620590-30-9) is a chemical compound with molecular formula C12H13BrN2O3S2 and molecular weight 375.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide
Also Known As: 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide, F1458-0039, 4-bromo-N-((1,1-dioxidotetrahydrothiophen-3-yl)carbamothioyl)benzamide, N-{[(1,1-dioxothiolan-3-yl)amino]thioxomethyl}(4-bromophenyl)carboxamide, 3-[3-(p-bromobenzoyl)thioureido]-1-oxo-1lambda-tetrahydro-1H-thiophen-1-ium-1-olate
| Molecular Formula | C12H13BrN2O3S2 |
|---|---|
| Molecular Weight | 375.96 g/mol |
| LogP | 1.2405 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.9551 |
| Heavy Atoms | 20 |
| Complexity | 628.6074 |
Chemical Identifiers
| CAS Number | 620590-30-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide (CAS 620590-30-9), with molecular formula C12H13BrN2O3S2 and molecular weight 375.96 g/mol. IUPAC: 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide
Property Insights of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide
The XLogP value of 1.2405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide 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-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide?
The CAS number of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide is 620590-30-9.
What is the molecular formula of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide?
The molecular formula of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide is C12H13BrN2O3S2.
What is the molecular weight of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide?
The molecular weight of 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide is 375.96 g/mol.
Where can I buy 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide?
You can request a quote for 4-bromo-N-[(1,1-dioxothiolan-3-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-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(1,1-dioxothiolan-3-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.