3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one (CHEBI:170029)

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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	3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one

ChEBI ID	CHEBI:170029

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H13NOS

Net Charge

Average Mass

219.300

Monoisotopic Mass

219.07179

InChI

InChI=1S/C12H13NOS/c1-13(2)7-11-12(14)10-6-4-3-5-9(10)8-15-11/h3-7H,8H2,1-2H3

InChIKey

YYXKARVPIMCRPA-UHFFFAOYSA-N

SMILES

S1CC=2C(C(=O)C1=CN(C)C)=CC=CC2

Metabolite of Species	Details
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
unidentified (NCBI:txid32644)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one (CHEBI:170029) is a organic heterobicyclic compound (CHEBI:27171) 3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one (CHEBI:170029) is a organosulfur heterocyclic compound (CHEBI:38106)

IUPAC Name

3-(dimethylaminomethylidene)-1H-isothiochromen-4-one