5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thiadiazole-2-thione (CHEBI:228480)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thiadiazole-2-thione

ChEBI ID	CHEBI:228480

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H11N3OS2

Net Charge

Average Mass

253.340

Monoisotopic Mass

253.03435

InChI

InChI=1S/C10H11N3OS2/c1-14-8-4-2-7(3-5-8)6-11-9-12-13-10(15)16-9/h2-5H,6H2,1H3,(H,11,12)(H,13,15)

InChIKey

YCTHJAIKZNBJAB-UHFFFAOYSA-N

SMILES

S1C(NCC2=CC=C(OC)C=C2)=NNC1=S

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thiadiazole-2-thione (CHEBI:228480) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

5-[(4-methoxyphenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione