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Pigment red 185

CAT: 0931-T87177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T87177-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51920-12-8
Target
Others
Related Pathways
Others
Bioactivity
Pigment Red 185 is a prevalent commercial dye used for bulk coloring of plastics, synthetic fibers, and for surface coatings (paints and inks) .
Smiles
N(=NC1=C(OC)C=C(S(NC)(=O)=O)C(C)=C1)C=2C3=C(C=C(C(NC=4C=C5C(=CC4)NC(=O)N5)=O)C2O)C=CC=C3
Molecular Formula
C27H24N6O6S
Molecular Weight
560.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide
CAS Number51920-12-8
PubChem CID104012
IUPAC Name3-hydroxy-4-[[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
Molecular FormulaC27H24N6O6S
Molecular Weight560.6
XLogP3.9
Topological Polar Surface Area179
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1070
SMILES
CC1=CC(=C(C=C1S(=O)(=O)NC)OC)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)O
InChI
InChI=1S/C27H24N6O6S/c1-14-10-21(22(39-3)13-23(14)40(37,38)28-2)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-20(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)
InChIKey
YKGGTUUWVUHZIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide
CAS: 51920-12-8
CID: 104012
Formula: C27H24N6O6S
MW: 560.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.6
XLogP33.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass560.14780368
Monoisotopic Mass560.14780368
Topological Polar Surface Area179 Ų
Heavy Atom Count40
Formal Charge0
Complexity1070
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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