Basic information
- CAS
59456-69-8- Standard SMILES
CCOC(=O)CC(C)=NNS(=O)(=O)c1ccc(C)cc1- InChIKey
OKOCJGPSMJXEBE-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4S
- Average molar mass
- 298.36 g/mol
- Monoisotopic mass
- 298.09872823
Names & identifiers
- Preferred name
- Ethyl 3-[(4-methylphenyl)sulfonylhydrazinylidene]butanoate
- IUPAC
- ethyl 3-[(4-methylphenyl)sulfonylhydrazinylidene]butanoate
Names & synonyms
59456-69-8DTXSID70974860Ethyl 3-[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]butanoate
Database identifiers
- CAS
59456-69-8- PubChem CID
- 280425
- DTXSID
DTXSID70974860
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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