Basic information
- CAS
59708-98-4- Standard SMILES
COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)O)c(C)cc1N- InChIKey
NGAXSFCVDMHWGU-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.10962727
Names & identifiers
- Preferred name
- 2-[(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-3,5-dimethylbenzene-1-sulfonic acid
- IUPAC
- 2-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid
Names & synonyms
DTXSID30113264759708-98-42-[(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-3,5-dimethylbenzene-1-sulfonic acid2-[2-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-3,5-dimethylbenzenesulfonic acid
Database identifiers
- CAS
59708-98-4- PubChem CID
- 413151
- DTXSID
DTXSID301132647- Nikkaji
- J30.117E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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