2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
TL;DR: 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid (CAS 18464-50-1) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
Also Known As: 2-Thioxo-2H-1,3-benzoxazine-3(4H)-acetamide, 2H-1,3-Benzoxazine-3(4H)-acetamide, 2-thioxo-, 2-Oxo-3,4-dihydro-2H-1,3-benzoxazine-3-thioacetamide, 2H-1,3-BENZOXAZINE-3(4H)-ACETAMIDE, 2-OXOTHIO-, 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 18464-50-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2OC(=S)N1CC(=O)N |
| InChIKey | PTEOKRZZXJSXLJ-UHFFFAOYSA-N |
Product Overview
2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid (CAS 18464-50-1), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide.
Chemical Property Profile of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
Property Insights of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid. Following Lipinski's Rule of Five, 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid 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
Frequently Asked Questions
What is the CAS number of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid?
The CAS number of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid is 18464-50-1.
What is the molecular formula of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid?
The molecular formula of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid is C10H10N2O2S.
What is the molecular weight of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid?
The molecular weight of 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid is 222.05 g/mol.
Where can I buy 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid?
You can request a quote for 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.