thiophanate

Identification (Source:EPA,EU)

ID 502
Name thiophanate
CAS 23564-06-9
IUPAC
Inchi InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)
CIPAC
EPA Code
Formula C14H18N4O4S2
SMILES S=C(N([H])C(=O)OC([H])([H])C([H])([H])[H])N([H])c1c([H])c([H])c([H])c([H])c1N([H])C(N([H])C(=O)OC([H])([H])C([H])([H])[H])=S
Status Not Approved

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification carbamate fungicides
benzimidazole precursor fungicides

Properties (Source:PubChem)

Molecular Weight 370.44712
Physical State
AlogP 4.357
H-Bond Donor 4
H-Bond Acceptor 6
Surface Area 358.0
Polar Surface Area 164.9

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
PPARalpha 82(1,1,1,2) Details
thyroid stimulating hormone (protein family or complex) 81(1,1,1,1) Details
cytochrome P450 (protein family or complex) 12(0,0,2,2) Details
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