Basic information
- CAS
90619-21-9- Standard SMILES
CCN(CC)C(=S)SCC(=O)N1C(=O)COc2ccccc21- InChIKey
GKDATFCWAXJWBM-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3S2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.07588479
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester
- IUPAC
- [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate
Names & synonyms
Carbamodithioic acid, diethyl-, 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester90619-21-9DTXSID202382222-(2,3-Dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl diethylcarbamodithioateDiethylcarbamodithioic acid 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl esterRefChem:332840DTXCID401607132-Oxo-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl diethylcarbamodithioate
Database identifiers
- CAS
90619-21-9- PubChem CID
- 56084
- DTXSID
DTXSID20238222
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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