Ethyl β-D-Thioglucopyranoside

CAS	7473-36-1
Structure
Synonyms	(2S,3R,4S,5S,6R)-2-(Ethylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
IUPAC Name	(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	224.28
Molecular Formula	C8H16O5S
Canonical SMILES	CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChI Key	CHAHFVCHPSPXOE-CBQIKETKSA-N
Melting Point	87-89ºC
Purity	98%
Density	1.43 g/ml
pKa	13.00±0.70
Appearance	White powder