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Molecule
Fast Yellow Ab
CAS: 101-50-8 · C12H11N3O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-50-8
- Molecular Formula
- C12H11N3O6S2
- Molecular Mass
- 357.37 g/mol
Identifiers
CAS Registry Number
101-50-8
SMILES
Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O
InChI Key
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)
Names and Synonyms
- Fast Yellow Ab Common Name
- Benzenesulfonic acid, 2-amino-5-[2-(4-sulfophenyl)diazenyl]- Synonym
- Benzenesulfonic acid, 6-amino-3,4′-azodi- Synonym
- Benzenesulfonic acid, 2-amino-5-[(4-sulfophenyl)azo]- Synonym
- 2-Amino-5-[2-(4-sulfophenyl)diazenyl]benzenesulfonic acid Synonym
- 4-Amino-3,4′-disulfoazobenzene Synonym
- 4-Aminoazobenzene-3,4′-disulfonic acid Synonym
- 4-Amino-3,4′-disulfo-1,1′-azobenzene Synonym
- 4-Amino-1,1′-azobenzene-3,4′-disulfonic acid Synonym
- 2-Amino-5-(4-sulfophenylazo)benzenesulfonic acid Synonym
- 2-Sulfo-4-[(4-sulfophenyl)azo]aniline Synonym
- NSC 57606 Synonym
- Poly(4-amino-1-1′-azobenzene-3,4′-disulfonic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.37 g/mol | CAS Common Chemistry |
| 357.3690000000001 g/mol | RDKit | |
| 357.369 g/mol | RDKit | |
| 357.355 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fast_Yellow_AB | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)C1=CC=C(N=NC2=CC=C(N)C(=C2)S(=O)(=O)O)C=C1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=DCYBHNIOTZBCFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Aminoazobenzene-3,4′-disulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 159.48 Ų | RDKit |
| LogP | 2.1776 | RDKit |
| Molar Refractivity | 81.10160000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 357.008927072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 357.37 g/mol. Edit any field — others recompute live.
