thiophanate (CHEBI:82060)

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ChEBI Name	thiophanate

ChEBI ID	CHEBI:82060

Definition	A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N4O4S2

Net Charge

Average Mass

370.44700

Monoisotopic Mass

370.07695

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)

InChIKey

YFNCATAIYKQPOO-UHFFFAOYSA-N

SMILES

CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC

Roles Classification
Biological Role(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. fungicide A substance used to destroy fungal pests. (via benzimidazole precursor fungicide ) (via carbamate fungicide )

Application(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. fungicide A substance used to destroy fungal pests. (via benzimidazole precursor fungicide ) (via carbamate fungicide )

ChEBI Ontology
Outgoing	thiophanate (CHEBI:82060) has functional parent 1,2-phenylenediamine (CHEBI:34043) thiophanate (CHEBI:82060) has role antifungal drug (CHEBI:86327) thiophanate (CHEBI:82060) is a benzimidazole precursor fungicide (CHEBI:87037) thiophanate (CHEBI:82060) is a carbamate ester (CHEBI:23003) thiophanate (CHEBI:82060) is a carbamate fungicide (CHEBI:87061) thiophanate (CHEBI:82060) is a thioureas (CHEBI:51276)

IUPAC Name

diethyl (1,2-phenylenedicarbamothioyl)biscarbamate

Synonyms	Sources
1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene	ChemIDplus
1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene	ChemIDplus
1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene	ChemIDplus
4,4'-o-Phenylenebis(ethyl 3-thioallophanate)	NIST Chemistry WebBook
Diethyl 4,4'-o-phenylenebis(3-thioallophanate)	ChemIDplus
diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate	Alan Wood's Pesticides
diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]	Alan Wood's Pesticides
Ethyl thiophanate	NIST Chemistry WebBook
Thiophanat	ChemIDplus

Last Modified

22 July 2015