Carbamodithioic acid, diethyl-, 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester
[2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.4 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 107.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 90619-21-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21 |
| InChIKey | GKDATFCWAXJWBM-UHFFFAOYSA-N |
📖 Product Overview
Carbamodithioic acid, diethyl-, 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester (CAS: 90619-21-9) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.4 g/mol. Its IUPAC systematic name is [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate.
GKDATFCWAXJWBM-UHFFFAOYSA-N.
SMILES: CCN(CC)C(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21.
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