pyridate

Synonyms: "O-(6-chloro-3-phenylpyridazin-4-yl) S-octyl thiocarbonate", "O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate", "Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridizinyl) S-octyl ester","pyridate", "Lentagran", "Fenpyrate", "Tough", "Pyron", "Pyridat".

Source: Pyridate is a postemergence herbicide.

Identifiers:

IUPAC Name: (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
CAS Number: 55512-33-9
PubChem ID: 41463
InChiKey: JTZCTMAVMHRNTR-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl

Structural Properties:

Molecular Formula: C₁₉H₂₃ClN₂O₂S
Molecular Weight: 378.915

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 5
Number of atoms different from hydrogen: 25

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I. 2004. Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol 46(4):445-453. DOI: 10.1007/s00244-003-3017-6. URL: https://link.springer.com/article/10.1007/s00244-003-3017-6.