S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate (CHEBI:166537)

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CHEBI:166537 - S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate

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ChEBI ID	CHEBI:166537
ChEBI Name	S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H10O3S
Net Charge	0
Average Mass	222.265
Monoisotopic Mass	222.03507
SMILES	Cc1cc(SC(=O)c2ccco2)c(C)o1
InChI	InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3
InChIKey	IHJDHYVSIRCWIT-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate (CHEBI:166537) is a furoic acid (CHEBI:36055)

IUPAC Name
S-(2,5-dimethyluran-3-yl) uran-2-carbothioate

Manual Xrefs	Databases
55942	ChemSpider
HMDB0039585	HMDB

Registry Numbers	Sources
CAS:55764-31-3	ChemIDplus