S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate
TL;DR: S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate (CAS 7527-65-3) is a chemical compound with molecular formula C13H7Br2NO3S and molecular weight 414.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,4-dibromophenyl) 4-nitrobenzenecarbothioate
Also Known As: s-(2,4-dibromophenyl) 4-nitrobenzenecarbothioate, S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate
| Molecular Formula | C13H7Br2NO3S |
|---|---|
| Molecular Weight | 414.85 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.85135 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 7527-65-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)SC2=C(C=C(C=C2)Br)Br)[N+](=O)[O-] |
| InChIKey | KZQCZYQEGGFHRW-UHFFFAOYSA-N |
Product Overview
S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate (CAS 7527-65-3), with molecular formula C13H7Br2NO3S and molecular weight 414.85 g/mol. IUPAC: S-(2,4-dibromophenyl) 4-nitrobenzenecarbothioate.
Chemical Property Profile of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate
Property Insights of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate
The XLogP value of 5.1 indicates that S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate. Following Lipinski's Rule of Five, S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate?
The CAS number of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate is 7527-65-3.
What is the molecular formula of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate?
The molecular formula of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate is C13H7Br2NO3S.
What is the molecular weight of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate?
The molecular weight of S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate is 414.85 g/mol.
Where can I buy S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate?
You can request a quote for S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4-Dibromophenyl) 4-nitrobenzene-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.