(5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 164520-75-6) is a chemical compound with molecular formula C14H15NO2S2 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AKOS B018243, (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, 5276AD, Y-1454, (E)-5-(4-Isobutoxybenzylidene)-2-mercaptothiazol-4(5H)-one
| Molecular Formula | C14H15NO2S2 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.2102 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0544 |
| Heavy Atoms | 19 |
| Complexity | 520.75244 |
Chemical Identifiers
| CAS Number | 164520-75-6 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
(5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 164520-75-6), with molecular formula C14H15NO2S2 and molecular weight 293.05 g/mol. IUPAC: (5E)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 3.2102 indicates that (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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 (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 164520-75-6.
What is the molecular formula of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C14H15NO2S2.
What is the molecular weight of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 293.05 g/mol.
Where can I buy (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(4-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.