8-Ethoxy-2-imino-2H-chromene-3-carbothioamide
TL;DR: 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide (CAS 71796-73-1) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-2-iminochromene-3-carbothioamide
Also Known As: 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide, 8-ethoxy-2-iminochromene-3-carbothioamide, 2H-1-Benzopyran-3-carbothioamide, 8-ethoxy-2-imino-, 8-ethoxy-2-iminocoumarine-3-carbothioamide, 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide #
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.94517 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 633.9285 |
Chemical Identifiers
| CAS Number | 71796-73-1 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=S)N |
Product Overview
8-Ethoxy-2-imino-2H-chromene-3-carbothioamide (CAS 71796-73-1), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 8-ethoxy-2-iminochromene-3-carbothioamide.
Chemical Property Profile of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide
Property Insights of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide
The XLogP value of 1.94517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide has 2 hydrogen bond donor(s) and 4 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 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide?
The CAS number of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide is 71796-73-1.
What is the molecular formula of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide?
The molecular formula of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide is C12H12N2O2S.
What is the molecular weight of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide?
The molecular weight of 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide is 248.06 g/mol.
Where can I buy 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide?
You can request a quote for 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 8-Ethoxy-2-imino-2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.