![2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- structure](/static/products/2994/29947-11-3.webp)
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-
TL;DR: 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- (CAS 29947-11-3) is a chemical compound with molecular formula C13H8N2O3S2 and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-, 3-Thiazolidineaceticacid, 5-[(4-cyanophenyl)methylene]-4-oxo-2-thioxo-, 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C13H8N2O3S2 |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.99762 |
| Heavy Atoms | 20 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 29947-11-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)C#N |
| InChIKey | WKPXJLWHMPKRDX-UHFFFAOYSA-N |
Product Overview
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- (CAS 29947-11-3), with molecular formula C13H8N2O3S2 and molecular weight 304.00 g/mol. IUPAC: 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-
Property Insights of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-. Following Lipinski's Rule of Five, 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- has 1 hydrogen bond donor(s) and 6 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 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-?
The CAS number of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- is 29947-11-3.
What is the molecular formula of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-?
The molecular formula of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- is C13H8N2O3S2.
What is the molecular weight of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-?
The molecular weight of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- is 304.00 g/mol.
Where can I buy 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-?
You can request a quote for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.