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Disperse Yellow 42

CAT: 0931-T86273-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86273-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5124-25-4
Target
Others
Related Pathways
Others
Bioactivity
Disperse Yellow 42, a yellow dye, is commonly utilized for fiber dyeing.
Smiles
N(C1=C(N(=O)=O)C=C(S(NC2=CC=CC=C2)(=O)=O)C=C1)C3=CC=CC=C3
Molecular Formula
C18H15N3O4S
Molecular Weight
369.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Disperse Yellow 42

nonionic dye

CAS Number5124-25-4
PubChem CID21201
IUPAC Name4-anilino-3-nitro-N-phenylbenzenesulfonamide
Molecular FormulaC18H15N3O4S
Molecular Weight369.4
XLogP4.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
InChIKey
BBFRYSKTTHYWQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Yellow 42
CAS: 5124-25-4
CID: 21201
Formula: C18H15N3O4S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass369.07832714
Monoisotopic Mass369.07832714
Topological Polar Surface Area112 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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