4H-1-Benzopyran-2-carbonitrile, 4-thioxo-
TL;DR: 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- (CAS 5464-83-5) is a chemical compound with molecular formula C10H5NOS and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylidenechromene-2-carbonitrile
Also Known As: cyanothiochromone, 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-, 4-Thioxo-4H-1-benzopyran-2-carbonitrile, 4-thioxo-4h-chromene-2-carbonitrile, 4-sulfanylidenechromene-2-carbonitrile
| Molecular Formula | C10H5NOS |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.00919 |
| Heavy Atoms | 13 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 5464-83-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)C=C(O2)C#N |
| InChIKey | NVOWEWSIFTXYAN-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carbonitrile, 4-thioxo- (CAS 5464-83-5), with molecular formula C10H5NOS and molecular weight 187.01 g/mol. IUPAC: 4-sulfanylidenechromene-2-carbonitrile.
Chemical Property Profile of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-
Property Insights of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- has 0 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 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-?
The CAS number of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- is 5464-83-5.
What is the molecular formula of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-?
The molecular formula of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- is C10H5NOS.
What is the molecular weight of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-?
The molecular weight of 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- is 187.01 g/mol.
Where can I buy 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-?
You can request a quote for 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carbonitrile, 4-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carbonitrile, 4-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.