Basic information
- CAS
5443-42-5- Standard SMILES
CCN(CC)C(=O)N1C(=O)c2ccccc2S1(=O)=O- InChIKey
WQPIXVICHUSSCZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S
- Average molar mass
- 282.32 g/mol
- Monoisotopic mass
- 282.06742811
Names & identifiers
- Preferred name
- N,N-Diethyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazole-2-carboxamide
- IUPAC
- N,N-diethyl-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
Names & synonyms
5443-42-5NSC19668SCHEMBL19848653DTXSID70281006NSC-19668N,N-Diethyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazole-2-carboxamide
Database identifiers
- CAS
5443-42-5- PubChem CID
- 227705
- DTXSID
DTXSID70281006
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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