TL;DR: 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide (CAS 104819-00-3) is a chemical compound with molecular formula C12H12N4O2S2 and molecular weight 308.04016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
Also Known As: 2,3-bis(carbamoylmethylthio)quinoxaline, 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide, 2,2'-[2,3-quinoxalinediylbis(thio)]diacetamide, 2,2'-(quinoxaline-2,3-diyldisulfanediyl)diacetamide, 2,2'-(quinoxaline-2,3-diylbis(sulfanediyl))diacetamide
| Molecular Formula | C12H12N4O2S2 |
| Molecular Weight | 308.04016 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.04016 Da |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)N)SCC(=O)N |
| InChIKey | IJIUCYWOTJRKIC-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide. The TPSA of 163.0 Ų indicates high polarity, suggesting 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide is 104819-00-3.
The molecular formula of 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide is C12H12N4O2S2.
The molecular weight of 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide is 308.04016 g/mol.
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