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Pyridate

CAT: 0013-GTR19202148-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202148-01Size:25 mg
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Description
Pyridate is a selective herbicide used post-emergence to control broadleaf weeds in crops such as cereals and vegetables. In research, it serves as a tool compound for studying herbicide action, plant physiology, and resistance mechanisms in both field (in vivo) and laboratory (in vitro) settings.
CAS Number
55512-33-9
Smiles
O=C (OC=1C=C (Cl) N=NC1C2=CC=CC=C2) SCCCCCCCC
Molecular Formula
C19H23ClN2O2S
Molecular Weight
378.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyridate

Pyridate is a member of pyridazines.

CAS Number55512-33-9
PubChem CID41463
IUPAC Name(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.9
XLogP6.6
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity380
SMILES
CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl
InChI
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey
JTZCTMAVMHRNTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridate
CAS: 55512-33-9
CID: 41463
Formula: C19H23ClN2O2S
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass378.1168768
Monoisotopic Mass378.1168768
Topological Polar Surface Area77.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity380
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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