Ethyl Orange

CAT: 0127-OR1026763-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026763-01Size:1 g

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CAS Number

13545-67-0

Synonyms

Potassium;4-[[4- (diethylamino) phenyl]diazenyl]benzenesulfonate

Purity

98%

Smiles

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[K+]

Chemical Information

Ethyl orange

CAS Number	13545-67-0
PubChem CID	23678401
IUPAC Name	potassium 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate
Molecular Formula	C16H18KN3O3S
Molecular Weight	371.5
Topological Polar Surface Area	93.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	475

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C16H19N3O3S.K/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1

InChIKey

YYVJVQBUGBAHJC-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 13545-67-0

CID: 23678401

Formula: C16H18KN3O3S

MW: 371.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	371.07059410
Monoisotopic Mass	371.07059410
Topological Polar Surface Area	93.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	475
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-269179	Ethyl Orange
GTR19336892-01	Ethyl Orange sodium
sc-214995B	Ethyl orange sodium salt
E13360	Ethyl orange, sodium salt
HY-W110789	Ethyl Orange (sodium), indicator grade
294625-01	Ethyl Orange Sodium Salt 90.0%
237720-01	Ethyl Orange sodium salt ≥90% (Dye content)
1462668	Versilon® F-5500-A, orange/orange/orange, ID = 0.89
FT168271-01	Thiazole orange
FM01511-01	Methyl orange