2-[(2-Ethoxy-2-oxoethyl)amino]-5-methoxy-4-[(4-methylphenyl)sulfanyl]benzene-1-diazonium hydrogen sulfate
Basic information
- CAS
86808-51-7- Standard SMILES
CCOC(=O)CNc1cc(Sc2ccc(C)cc2)c(OC)cc1[N+]#N.O=S(=O)([O-])O- InChIKey
LZKSXXDPGPUJOV-UHFFFAOYSA-M- Molecular formula
- C18H21N3O7S2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.08209236
Names & identifiers
- Preferred name
- 2-[(2-Ethoxy-2-oxoethyl)amino]-5-methoxy-4-[(4-methylphenyl)sulfanyl]benzene-1-diazonium hydrogen sulfate
- IUPAC
- 2-[(2-ethoxy-2-oxoethyl)amino]-5-methoxy-4-(4-methylphenyl)sulfanylbenzenediazonium;hydrogen sulfate
Names & synonyms
DTXSID5010071032-[(2-Ethoxy-2-oxoethyl)amino]-5-methoxy-4-[(4-methylphenyl)sulfanyl]benzene-1-diazonium hydrogen sulfate
Database identifiers
- CAS
86808-51-7- PubChem CID
- 16205656
- DTXSID
DTXSID501007103
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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