Basic information
- CAS
756412-69-8- Standard SMILES
Cc1cc(C)c(N=Nc2cc(C)c(N)cc2C)c(S(=O)(=O)O)c1- InChIKey
FZXGFGSGKDOGMB-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.11471265
Names & identifiers
- Preferred name
- 2-[2-(4-Amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid
- IUPAC
- 2-[(4-amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid
Names & synonyms
DTXSID6013730222-[2-(4-Amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid756412-69-8
Database identifiers
- CAS
756412-69-8- PubChem CID
- 413205
- DTXSID
DTXSID601373022
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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