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Nitroscanate

CAT: 0931-T33690-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33690-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19881-18-6
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Nitroscanate is an anthelmintic found to be effective in certain strains of parasites in canines.
Smiles
O=N(=O)C1=CC=C(OC2=CC=C(N=C=S)C=C2)C=C1
Molecular Formula
C13H8N2O3S
Molecular Weight
272.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19193338-01Nitroscanate
AR-N08693-01Nimesulide Impurity 7 (Nitroscanate)

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