Rhodanine, 3-(4-bromo-o-tolyl)-
TL;DR: Rhodanine, 3-(4-bromo-o-tolyl)- (CAS 5422-85-5) is a chemical compound with molecular formula C10H8BrNOS2 and molecular weight 300.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Rhodanine, 3-(4-bromo-o-tolyl)-, 3-(4-Bromo-o-tolyl)rhodanine, 4-27-00-03191 (Beilstein Handbook Reference), 3-(4-bromo-2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(4-bromo-2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C10H8BrNOS2 |
|---|---|
| Molecular Weight | 300.92 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.92307 |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 5422-85-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)CSC2=S |
| InChIKey | ONJXJBDFQUMVHO-UHFFFAOYSA-N |
Product Overview
Rhodanine, 3-(4-bromo-o-tolyl)- (CAS 5422-85-5), with molecular formula C10H8BrNOS2 and molecular weight 300.92 g/mol. IUPAC: 3-(4-bromo-2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Rhodanine, 3-(4-bromo-o-tolyl)-
Property Insights of Rhodanine, 3-(4-bromo-o-tolyl)-
The XLogP value of 3.5 indicates that Rhodanine, 3-(4-bromo-o-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodanine, 3-(4-bromo-o-tolyl)-. Following Lipinski's Rule of Five, Rhodanine, 3-(4-bromo-o-tolyl)- has 0 hydrogen bond donor(s) and 3 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 Rhodanine, 3-(4-bromo-o-tolyl)-?
The CAS number of Rhodanine, 3-(4-bromo-o-tolyl)- is 5422-85-5.
What is the molecular formula of Rhodanine, 3-(4-bromo-o-tolyl)-?
The molecular formula of Rhodanine, 3-(4-bromo-o-tolyl)- is C10H8BrNOS2.
What is the molecular weight of Rhodanine, 3-(4-bromo-o-tolyl)-?
The molecular weight of Rhodanine, 3-(4-bromo-o-tolyl)- is 300.92 g/mol.
Where can I buy Rhodanine, 3-(4-bromo-o-tolyl)-?
You can request a quote for Rhodanine, 3-(4-bromo-o-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanine, 3-(4-bromo-o-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Rhodanine, 3-(4-bromo-o-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.