4-[(E)-[2,4-diamino-5-methyl-3-[(E)-(4-sulfophenyl)azo]phenyl]azo]benzenesulfonic acid
Basic information
- CAS
17895-43-1- Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)O)cc2)c1N- InChIKey
AUPOYHVOSSAUEG-UHFFFAOYSA-N- Molecular formula
- C19H18N6O6S2
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.07292466
Names & identifiers
- Preferred name
- 4-[(E)-[2,4-diamino-5-methyl-3-[(E)-(4-sulfophenyl)azo]phenyl]azo]benzenesulfonic acid
- IUPAC
- 4-[[2,4-diamino-5-methyl-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
4TRG6K2GZBCHEMBL493482BDBM25320ChemBridge dibenzenesulfonic acid, 164,4'-[(2,4-Diamino-5-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis[benzenesulfonic acid]4,4'-[(2,4-Diamino-5-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bisbenzenesulfonic acid4,4'-[(2,4-Diamino-5-methylbenzene-1,3-diyl)di(E)diazene-2,1-diyl]dibenzenesulfonic acid4-[(E)-[2,4-diamino-5-methyl-3-[(E)-(4-sulfophenyl)azo]phenyl]azo]benzenesulfonic acidBenzenesulfonic acid, 4,4'-[(2,4-diamino-5-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis-Benzenesulfonic acid, 4,4'-[(2,4-diamino-5-methyl-1,3-phenylene)bis(azo)]bis-17895-43-14-[(E)-2-{2,6-diamino-3-methyl-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzene-1-sulfonic acid
Database identifiers
- CAS
17895-43-1- PubChem CID
- 146285
- ChEMBL
CHEMBL493482- UNII
- 4TRG6K2GZB
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 915
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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