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Chemical structure of Thiophanate-Methyl

GC34839

Thiophanate-Methyl

Also known as methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Thiophanate-Methyl is a systematic fungicide

ChemicalCAS23564-05-8MW342.39FormulaC12H14N4O4S2
CAS number
23564-05-8
Molecular weight
342.39
Formula
C12H14N4O4S2
Solubility
DMSO : 300 mg/mL (876·19 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
QGHREAKMXXNCOA-UHFFFAOYSA-N
Catalogue number
GC34839
Brand
GLPBIO
Computed properties PubChem CID 3032791 · XLogP 2.6 · TPSA 165 Ų · H-bond donors 4
XLogP
2.6
TPSA
165 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC

Computed descriptors from PubChem (CID 3032791), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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