2-[(3,4-dimethylthieno[2,3-b]thiophen-2-yl)methylidene]malononitrile (CHEBI:228587)

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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	2-[(3,4-dimethylthieno[2,3-b]thiophen-2-yl)methylidene]malononitrile

ChEBI ID	CHEBI:228587

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H8N2S2

Net Charge

Average Mass

244.330

Monoisotopic Mass

244.01289

InChI

InChI=1S/C12H8N2S2/c1-7-6-15-12-11(7)8(2)10(16-12)3-9(4-13)5-14/h3,6H,1-2H3

InChIKey

HGBYIAMEBTVAHQ-UHFFFAOYSA-N

SMILES

S1C=2SC=C(C2C(=C1C=C(C#N)C#N)C)C

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

ChEBI Ontology
Outgoing	2-[(3,4-dimethylthieno[2,3-b]thiophen-2-yl)methylidene]malononitrile (CHEBI:228587) is a thienothiophene (CHEBI:48653)

IUPAC Name

2-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylidene]propanedinitrile