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Kayahope

CAT: 0931-T24252-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24252-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
49828-25-3
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Kayahope is a novel antifungals.
Smiles
O(C1=CC(SCCC)=C(Cl)C=C1)C2=CC=C(N(=O)=O)C=C2
Molecular Formula
C15H14ClNO3S
Molecular Weight
323.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kayahope

an acaricide

CAS Number49828-25-3
PubChem CID162579
IUPAC Name1-chloro-4-(4-nitrophenoxy)-2-propylsulfanylbenzene
Molecular FormulaC15H14ClNO3S
Molecular Weight323.8
XLogP5.3
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity331
SMILES
CCCSC1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H14ClNO3S/c1-2-9-21-15-10-13(7-8-14(15)16)20-12-5-3-11(4-6-12)17(18)19/h3-8,10H,2,9H2,1H3
InChIKey
SPJLQKZVWZEOOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kayahope
CAS: 49828-25-3
CID: 162579
Formula: C15H14ClNO3S
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.8
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass323.0382922
Monoisotopic Mass323.0382922
Topological Polar Surface Area80.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity331
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
GTR19200147-01Kayahope

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