5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one
TL;DR: 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one (CAS 30302-42-2) is a chemical compound with molecular formula C11H5NO3S2 and molecular weight 262.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(3-oxo-2-benzofuran-1-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00342775, 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one, (Z)-5-(3-oxoisobenzofuran-1(3H)-ylidene)-2-thioxothiazolidin-4-one, 5-(3-oxoisobenzofuranylidene)-2-thioxo-1,3-thiazolidin-4-one, 5-(3-oxo-2-benzofuran-1(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C11H5NO3S2 |
|---|---|
| Molecular Weight | 262.97 g/mol |
| LogP | 1.6735 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.9711 |
| Heavy Atoms | 17 |
| Complexity | 606.489 |
Chemical Identifiers
| CAS Number | 30302-42-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)NC(=S)S3)/OC2=O |
Product Overview
5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one (CAS 30302-42-2), with molecular formula C11H5NO3S2 and molecular weight 262.97 g/mol. IUPAC: (5Z)-5-(3-oxo-2-benzofuran-1-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one
Property Insights of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one
The XLogP value of 1.6735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one. With a topological polar surface area (TPSA) of 55.4 Ų, 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one 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 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one?
The CAS number of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one is 30302-42-2.
What is the molecular formula of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one?
The molecular formula of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one is C11H5NO3S2.
What is the molecular weight of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one?
The molecular weight of 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one is 262.97 g/mol.
Where can I buy 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one?
You can request a quote for 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.