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N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide
TL;DR: N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide (CAS 61720-69-2) is a chemical compound with molecular formula C14H11BrN2O3S2 and molecular weight 397.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-(4-bromobenzenecarbothioyl)urea
Also Known As: 1-(benzenesulfonyl)-3-(4-bromobenzenecarbothioyl)urea, N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide
| Molecular Formula | C14H11BrN2O3S2 |
|---|---|
| Molecular Weight | 397.94 g/mol |
| LogP | 2.8127 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.93945 |
| Heavy Atoms | 22 |
| Complexity | 790.5975 |
Chemical Identifiers
| CAS Number | 61720-69-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=S)C2=CC=C(C=C2)Br |
Product Overview
N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide (CAS 61720-69-2), with molecular formula C14H11BrN2O3S2 and molecular weight 397.94 g/mol. IUPAC: 1-(benzenesulfonyl)-3-(4-bromobenzenecarbothioyl)urea.
Chemical Property Profile of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide
Property Insights of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide
The XLogP value of 2.8127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide. Following Lipinski's Rule of Five, N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-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 N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide?
The CAS number of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide is 61720-69-2.
What is the molecular formula of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide?
The molecular formula of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide is C14H11BrN2O3S2.
What is the molecular weight of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide?
The molecular weight of N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide is 397.94 g/mol.
Where can I buy N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide?
You can request a quote for N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(Benzenesulfonyl)carbamoyl]-4-bromobenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.