2-(4-methylphenyl)-2-oxoethyl thiocyanate (CHEBI:183472)

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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-(4-methylphenyl)-2-oxoethyl thiocyanate

ChEBI ID	CHEBI:183472

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H9NOS

Net Charge

Average Mass

191.250

Monoisotopic Mass

191.04049

InChI

InChI=1S/C10H9NOS/c1-8-2-4-9(5-3-8)10(12)6-13-7-11/h2-5H,6H2,1H3

InChIKey

DNOVVJFVCQZBBL-UHFFFAOYSA-N

SMILES

S(CC(=O)C1=CC=C(C=C1)C)C#N

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-(4-methylphenyl)-2-oxoethyl thiocyanate (CHEBI:183472) is a aromatic ketone (CHEBI:76224)

IUPAC Name

[2-(4-methylphenyl)-2-oxoethyl] thiocyanate