2,5-Dimethyl-3-thiofuroylfuran

Catalog	ACM65505160
CAS	65505-16-0
Structure
Synonyms	3-Furancarbothioic acid
IUPAC Name	S-(2,5-Dimethylfuran-3-yl) furan-3-carbothioate
Molecular Weight	222.26
Molecular Formula	C11H10O3S
Canonical SMILES	CC1=CC(=C(O1)C)SC(=O)C2=COC=C2
InChI	InChI=1S/C11H10O3S/c1-7-5-10(8(2)14-7)15-11(12)9-3-4-13-6-9/h3-6H,1-2H3
InChI Key	QVKDTUVQQAKGEO-UHFFFAOYSA-N
Boiling Point	288 °C
Flash Point	128 ºC
Purity	95%+
Density	1.270 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; slighty soluble in fat
Exact Mass	222.03506535
Monoisotopic Mass	222.03506535
Odor	Cofee-like roasted meat aroma
Physical State	Liquid
Topological Polar Surface Area	68.6 Ų