3-Methyl-5-benzylidenerhodanine
TL;DR: 3-Methyl-5-benzylidenerhodanine (CAS 5178-04-1) is a chemical compound with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-methyl-5-benzylidenerhodanine, 5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-METHYL-5-(PHENYLMETHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C11H9NOS2 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.01256 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 5178-04-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CC=C2)SC1=S |
| InChIKey | WGWHJLDAXAFZNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-benzylidenerhodanine (CAS 5178-04-1), with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol. IUPAC: 5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Methyl-5-benzylidenerhodanine
Property Insights of 3-Methyl-5-benzylidenerhodanine
The XLogP value of 3.0 indicates that 3-Methyl-5-benzylidenerhodanine 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 3-Methyl-5-benzylidenerhodanine. Following Lipinski's Rule of Five, 3-Methyl-5-benzylidenerhodanine 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 3-Methyl-5-benzylidenerhodanine?
The CAS number of 3-Methyl-5-benzylidenerhodanine is 5178-04-1.
What is the molecular formula of 3-Methyl-5-benzylidenerhodanine?
The molecular formula of 3-Methyl-5-benzylidenerhodanine is C11H9NOS2.
What is the molecular weight of 3-Methyl-5-benzylidenerhodanine?
The molecular weight of 3-Methyl-5-benzylidenerhodanine is 235.01 g/mol.
Where can I buy 3-Methyl-5-benzylidenerhodanine?
You can request a quote for 3-Methyl-5-benzylidenerhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-benzylidenerhodanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-benzylidenerhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.