Isopropyl-beta-D-thiogalactopyranoside

Catalog Number	ACM367931-1
CAS	367-93-1
Structure
Synonyms	1-Methylethyl1-thio-beta-d-galactopyranosid
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
Molecular Weight	238.3
Molecular Formula	C9H18O5S
Canonical SMILES	CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
InChI Key	BPHPUYQFMNQIOC-NXRLNHOXSA-N
Melting Point	105 °C
Purity	98%
Density	1.33 g/ml
Appearance	White powder
Complexity	201
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	238.08749484
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass	238.08749484
Physical State	Crystalline powder
Rotatable Bond Count	3
Topological Polar Surface Area	115 Ų

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Isopropyl-beta-D-thiogalactopyranoside (367-93-1)

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