chempirical

Fast yellow ab

C12H11N3O6S2CAS 101-50-8357.36 g/mol

Open in Covalent MOL file
H2NNNSOOOHSOOOH
AzoPrimary amineSulfonic acid

Properties

Molecular formula
C12H11N3O6S2
Molar mass
357.36 g/mol
Exact mass
357.0089 Da
logP
2.18Crippen estimate
Polar surface area
159.5 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
4

Identifiers

CAS number
101-50-8
SMILES
Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O
InChIKey
DCYBHNIOTZBCFS-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzenesulfonic acid, 2-amino-5-[2-(4-sulfophenyl)diazenyl]-
  • Benzenesulfonic acid, 6-amino-3,4′-azodi-
  • Benzenesulfonic acid, 2-amino-5-[(4-sulfophenyl)azo]-
  • 2-Amino-5-[2-(4-sulfophenyl)diazenyl]benzenesulfonic acid
  • 4-Amino-3,4′-disulfoazobenzene
  • 4-Aminoazobenzene-3,4′-disulfonic acid
  • 4-Amino-3,4′-disulfo-1,1′-azobenzene
  • 4-Amino-1,1′-azobenzene-3,4′-disulfonic acid
  • 2-Amino-5-(4-sulfophenylazo)benzenesulfonic acid
  • 2-Sulfo-4-[(4-sulfophenyl)azo]aniline
  • NSC 57606
  • Poly(4-amino-1-1′-azobenzene-3,4′-disulfonic acid)

Work with Fast yellow ab

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Aniline-2,4-disulfonic acid137-51-969 % similar 4-Aminoazobenzene-4′-sulfonic acid104-23-462 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-658 % similar 2,5-Diaminobenzenesulfonic acid88-45-955 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-255 % similar 3,4-Diaminobenzenesulfonic acid7474-78-454 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-453 % similar 2-Amino-5-methoxybenzenesulfonic acid13244-33-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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