Isobutylidenrhodanin
TL;DR: Isobutylidenrhodanin (CAS 89776-40-9) is a chemical compound with molecular formula C7H9NOS2 and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Isobutylidenrhodanin, 5-(2-methylpropylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-(2-methylpropylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C7H9NOS2 |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 1.6742 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.01256 |
| Heavy Atoms | 11 |
| Complexity | 232.59508 |
Chemical Identifiers
| CAS Number | 89776-40-9 |
|---|---|
| SMILES | CC(C)C=C1C(=O)NC(=S)S1 |
Product Overview
Isobutylidenrhodanin (CAS 89776-40-9), with molecular formula C7H9NOS2 and molecular weight 187.01 g/mol. IUPAC: 5-(2-methylpropylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Isobutylidenrhodanin
Property Insights of Isobutylidenrhodanin
The XLogP value of 1.6742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutylidenrhodanin. With a topological polar surface area (TPSA) of 29.1 Ų, Isobutylidenrhodanin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylidenrhodanin has 1 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 Isobutylidenrhodanin?
The CAS number of Isobutylidenrhodanin is 89776-40-9.
What is the molecular formula of Isobutylidenrhodanin?
The molecular formula of Isobutylidenrhodanin is C7H9NOS2.
What is the molecular weight of Isobutylidenrhodanin?
The molecular weight of Isobutylidenrhodanin is 187.01 g/mol.
Where can I buy Isobutylidenrhodanin?
You can request a quote for Isobutylidenrhodanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylidenrhodanin?
Yes, KEHONG BIO provides custom synthesis services for Isobutylidenrhodanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.