TL;DR: Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1) (CAS 2641-09-0) is a chemical compound with molecular formula C9H20NO6PS and molecular weight 301.0749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine;oxalic acid
Also Known As: Methylethoxy-(2-dimethylaminoethylthio)phosphine oxide oxalate, Phosphonothioic acid, methyl-, O-ethyl-S-(2-(dimethylamino)ethyl)ester, oxalate, Phosphonothioic acid, methyl-, O-ethyl ester, S-ester with 2-dimethylaminoethanol, oxalate, Phosphonothioic acid, methyl-, S-(2-(dimethylamino)ethyl) O-ethyl ester, oxalate, 2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine; oxalic acid
| Molecular Formula | C9H20NO6PS |
| Molecular Weight | 301.0749 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.0749 Da |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
| SMILES | CCOP(=O)(C)SCCN(C)C.C(=O)(C(=O)O)O |
| InChIKey | XYIUBTYHEVDENB-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1). Following Lipinski's Rule of Five, Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1) is 2641-09-0.
The molecular formula of Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1) is C9H20NO6PS.
The molecular weight of Oxalic acid--S-(2-(dimethylamino)ethyl) O-ethyl methylphosphonothioate (1/1) is 301.0749 g/mol.
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