Basic information
- Standard SMILES
CN(CCS(=O)(=O)O)N=Nc1ccccc1- InChIKey
BEOPSJXXSYVVGZ-UHFFFAOYSA-N- Molecular formula
- C9H13N3O3S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.06776246
Names & identifiers
- Preferred name
- 2-[Methyl(phenyldiazenyl)amino]ethanesulfonic acid
- IUPAC
- 2-[methyl(phenyldiazenyl)amino]ethanesulfonic acid
Names & synonyms
2-[methyl(phenyldiazenyl)amino]ethanesulfonic acidDTXSID001384823
Database identifiers
- PubChem CID
- 89787
- DTXSID
DTXSID001384823
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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