5-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione (CHEBI:228624)

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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-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione

ChEBI ID	CHEBI:228624

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H4ClF3N2S

Net Charge

Average Mass

252.640

Monoisotopic Mass

251.97358

InChI

InChI=1S/C8H4ClF3N2S/c9-4-2-6-5(13-7(15)14-6)1-3(4)8(10,11)12/h1-2H,(H2,13,14,15)

InChIKey

LSFYTNIKUUQWGI-UHFFFAOYSA-N

SMILES

ClC=1C(=CC=2NC(=S)NC2C1)C(F)(F)F

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

ChEBI Ontology
Outgoing	5-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione (CHEBI:228624) is a benzimidazoles (CHEBI:22715)

IUPAC Name

5-chloro-6-(triluoromethyl)-1,3-dihydrobenzimidazole-2-thione