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Nitroscanate

CAT: 0013-GTR19193338-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193338-01Size:25 mg
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Description
Nitroscanate is an anthelmintic compound used in veterinary research, particularly for studying parasitic infections in canines. It is applied in both in vivo and in vitro experiments to investigate its efficacy against specific strains of helminths.
CAS Number
19881-18-6
Field of Research
Infectious Disease & Virology
Smiles
O=N (=O) C1=CC=C (OC2=CC=C (N=C=S) C=C2) C=C1
Molecular Formula
C13H8N2O3S
Molecular Weight
272.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nitroscanate

Nitroscanate is a small molecule drug. Nitroscanate has a monoisotopic molecular weight of 272.03 Da.

CAS Number19881-18-6
PubChem CID68547
IUPAC Name1-isothiocyanato-4-(4-nitrophenoxy)benzene
Molecular FormulaC13H8N2O3S
Molecular Weight272.28
XLogP5.1
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity349
SMILES
C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H
InChIKey
SVMGVZLUIWGYPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitroscanate
CAS: 19881-18-6
CID: 68547
Formula: C13H8N2O3S
MW: 272.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.28
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass272.02556330
Monoisotopic Mass272.02556330
Topological Polar Surface Area99.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity349
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

Alternative Products

CatalogName
MBS5783231Nitroscanate
AR-N08693-01Nimesulide Impurity 7 (Nitroscanate)

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