thiophanate-methyl

Identification (Source:EPA,EU)

ID 503
Name thiophanate-methyl
CAS 23564-05-8
IUPAC
Inchi InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
CIPAC 262
EPA Code 102001
Formula C12H14N4O4S2
SMILES S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC
Status Approved

Classification

Mode of Action Systemic with protective and curative activity
Pesticide Type Fungicide
Chemical Group Benzimidazole
Classification carbamate fungicides
benzimidazole precursor fungicides

Properties (Source:PubChem)

Molecular Weight 342.39
Physical State Colourless crystals
AlogP 3.66
H-Bond Donor 4
H-Bond Acceptor 6
Surface Area 327.45
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

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth > 25.4 mg l-1
Aquatic crustaceans Acute 96 hour LC50 1.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 5.4 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.18 mg l-1
Aquatic plants Acute 7 day EC50, biomass 4.7 mg l-1
Birds Short term dietary LC50/LD50 > 10000 mg/kg feed
Birds Acute LD50 > 4640 mg kg-1
Earthworms Acute 14 day LD50 > 13.2 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 0.85 mg kg-1
Fish Chronic 21 day NOEC 0.32 mg l-1
Fish Acute 96 hour LC50 11.0 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL > 2.5 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.5 mg kg-1
Bio-concentration factor BCF 75
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
albumin 3(0,0,0,3) Details
alpha 1 microglobulin 2(0,0,0,2) Details
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