(2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide
TL;DR: (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide (CAS 161554-73-0) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.06705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyliminochromene-3-carbothioamide
Also Known As: (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide, 2-phenyliminochromene-3-carbothioamide, BAS 00219240, 2-(phenylimino)-2H-chromene-3-carbothioamide, (Z)-2-(phenylimino)-2H-chromene-3-carbothioamide
Technical Specifications
| Molecular Formula | C16H12N2OS |
| Molecular Weight | 280.06705 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.06705 Da |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
| SMILES | C1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=S)N |
| InChIKey | ZUVKMIZIAXAKJE-UHFFFAOYSA-N |
Chemical Property Profile of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide
Property Insights of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide
The XLogP value of 3.4 indicates that (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide?
The CAS number of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide is 161554-73-0.
What is the molecular formula of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide?
The molecular formula of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide is C16H12N2OS.
What is the molecular weight of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide?
The molecular weight of (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide is 280.06705 g/mol.
Where can I buy (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide?
You can request a quote for (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide?
Yes, CoreyChem provides custom synthesis services for (2Z)-2-(phenylimino)-2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.