THIOCOUMARIN (CHEBI:42372)

CHEBI:42372 - THIOCOUMARIN

Formula	C14H17NO2S
Net Charge	0
Average Mass	263.362
Monoisotopic Mass	263.09800
SMILES	[H]c1c([H])c([H])c2c(OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])c([H])c(=O)sc2c1[H]
InChI	InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey	DIOZFKOOIBATNZ-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	THIOCOUMARIN (CHEBI:42372) is a unclassifieds (CHEBI:27189)

Synonyms	Source
4-[3-(dimethylamino)propoxy]-2H-thiochromen-2-one	PDBeChem
THIOCOUMARIN	PDBeChem

Manual Xrefs	Databases
FC1	PDBeChem