2-Imino-6-methoxy-2H-chromene-3-carbothioamide
TL;DR: 2-Imino-6-methoxy-2H-chromene-3-carbothioamide (CAS 71796-75-3) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imino-6-methoxychromene-3-carbothioamide
Also Known As: 2-Imino-6-methoxy-2H-chromene-3-carbothioamide, 2-imino-6-methoxychromene-3-carbothioamide, NCI60_030552, 2-imino-6-methoxy-chromene-3-carbothioamide, 2H-1-Benzopyran-3-carbothioamide, 2-imino-6-methoxy-
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.55507 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 618.90094 |
Chemical Identifiers
| CAS Number | 71796-75-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N |
Product Overview
2-Imino-6-methoxy-2H-chromene-3-carbothioamide (CAS 71796-75-3), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 2-imino-6-methoxychromene-3-carbothioamide.
Chemical Property Profile of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide
Property Insights of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide
The XLogP value of 1.55507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-6-methoxy-2H-chromene-3-carbothioamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-6-methoxy-2H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, 2-Imino-6-methoxy-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 2-Imino-6-methoxy-2H-chromene-3-carbothioamide?
The CAS number of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide is 71796-75-3.
What is the molecular formula of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide?
The molecular formula of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide is C11H10N2O2S.
What is the molecular weight of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide?
The molecular weight of 2-Imino-6-methoxy-2H-chromene-3-carbothioamide is 234.05 g/mol.
Where can I buy 2-Imino-6-methoxy-2H-chromene-3-carbothioamide?
You can request a quote for 2-Imino-6-methoxy-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 2-Imino-6-methoxy-2H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-6-methoxy-2H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.