4-Bromobenzoyl isothiocyanate
TL;DR: 4-Bromobenzoyl isothiocyanate (CAS 66090-34-4) is a chemical compound with molecular formula C8H4BrNOS and molecular weight 240.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzoyl isothiocyanate
Also Known As: 4-bromobenzoyl isothiocyanate, p-bromobenzoylisothiocyanate, 4-Brom-benzoylisothiocyanat, 4-bromobenzoylisothiocyanate, 4-bromobenzoyl-isothiocyanate
| Molecular Formula | C8H4BrNOS |
|---|---|
| Molecular Weight | 240.92 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.9197 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 66090-34-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N=C=S)Br |
| InChIKey | UQIQCOFQWXQZRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobenzoyl isothiocyanate (CAS 66090-34-4), with molecular formula C8H4BrNOS and molecular weight 240.92 g/mol. IUPAC: 4-bromobenzoyl isothiocyanate.
Chemical Property Profile of 4-Bromobenzoyl isothiocyanate
Property Insights of 4-Bromobenzoyl isothiocyanate
The XLogP value of 3.9 indicates that 4-Bromobenzoyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromobenzoyl isothiocyanate. Following Lipinski's Rule of Five, 4-Bromobenzoyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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-Bromobenzoyl isothiocyanate?
The CAS number of 4-Bromobenzoyl isothiocyanate is 66090-34-4.
What is the molecular formula of 4-Bromobenzoyl isothiocyanate?
The molecular formula of 4-Bromobenzoyl isothiocyanate is C8H4BrNOS.
What is the molecular weight of 4-Bromobenzoyl isothiocyanate?
The molecular weight of 4-Bromobenzoyl isothiocyanate is 240.92 g/mol.
Where can I buy 4-Bromobenzoyl isothiocyanate?
You can request a quote for 4-Bromobenzoyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzoyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzoyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.