Direct yellow 8

C₂₄H₁₉N₄NaO₅S₂CAS 10130-29-7530.55 g/mol

Open in Covalent MOL file

Azo Ketone Sulfonic acid

Properties

Molecular formula: C₂₄H₁₉N₄NaO₅S₂
Molar mass: 530.55 g/mol
Exact mass: 530.0695 Da
logP: 5.47Crippen estimate
Polar surface area: 141.6 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 7

Identifiers

CAS number

10130-29-7

SMILES

CC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S([O-])(=O)=O)c3s2)cc1)C(=O)Nc1ccccc1.[Na+]

InChIKey

FAQWDIQQUUDLRN-UHFFFAOYSA-N

InChI

InChI=1S/C24H20N4O5S2.Na/c1-14-8-13-19-21(22(14)35(31,32)33)34-24(26-19)16-9-11-18(12-10-16)27-28-20(15(2)29)23(30)25-17-6-4-3-5-7-17;/h3-13,20H,1-2H3,(H,25,30)(H,31,32,33);

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Names and synonyms

32 names · show all

7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]phenyl]-, sodium salt (1:1)
C.I. Direct Yellow 8, monosodium salt
7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]-, monosodium salt
C.I. 13920
Acid leather yellow 5G
Atlantic brilliant yellow 5G
Benzyl yellow 5G
Chloramine yellow 6G
Chlorazol yellow 6G
C.I. Direct yellow 8
Coomassie yellow 6G
Dianil yellow 5G
Dianil yellow 5GA-CF
Diaphtamine brilliant yellow 5G
Diazol brilliant yellow 5J
Diphenyl brilliant yellow 8G
Diphenyl pure yellow 5G
Direct yellow 5G
Hispamin flavine 5G
Nippon pure yellow 5G
Paramine fast yellow 6G
Peeramine bright yellow 5G
Phenamine brilliant yellow 5G
Sulfonine yellow 5G
Direct yellow 6G
Vondacel yellow 6G
Direct pure yellow
C.I. Acid yellow 186
Acid yellow 186
Sodium 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazole-7-sulfonate
C.I. Acid yellow 40:1
Bitamin direct lemon yellow 4G

Work with Direct yellow 8

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

C.I. Acid yellow 442429-76-754 % similar 2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid130-17-636 % similar Acid yellow 116359-82-634 % similar Pigment yellow 16871832-85-434 % similar Acid orange 5554-73-432 % similar Direct red 233441-14-331 % similar Metanil yellow587-98-430 % similar

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

Elsewhere

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