![4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate structure](/static/products/3392/339283-50-0.webp)
4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate
TL;DR: 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate (CAS 339283-50-0) is a chemical compound with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
Also Known As: 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate, [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 2.1007 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 548.94586 |
Chemical Identifiers
| CAS Number | 339283-50-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate (CAS 339283-50-0), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate
Property Insights of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate
The XLogP value of 2.1007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate has 1 hydrogen bond donor(s) and 5 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-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate?
The CAS number of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate is 339283-50-0.
What is the molecular formula of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate?
The molecular formula of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate is C12H9NO3S2.
What is the molecular weight of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate?
The molecular weight of 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate is 279.00 g/mol.
Where can I buy 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate?
You can request a quote for 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-yliden]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.