isopropyl-beta-D-thioglucopyranoside
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
Also Known As: Octylthioglucoside|Isopropyl beta-D-thioglucopyranoside|Isopropyl |A-D-thioglucopyranoside|isopropyl-beta-d-thioglucopyranoside|ISOPROPYL THIOGALACTOSIDE|Isopropyl--D-thio-glucopyranosid|isopropyl B-D-thioglucopyranoside|Isopropyl-b-D-thioglucopyranoside|Isopropyl-?-D-thioglucopyranoside|beta-D-Glucopyranoside, 1-methylethyl 1-thio-|Isopropyl 1-thio-beta-D-glucopyranoside|Isopropyl beta -D-thioglucopyranoside|HY-W145651|(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol|SR-01000639614-1|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(propan-2-ylsulfanyl)oxane-3,4,5-triol|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(isopropylsulfanyl)oxane-3,4,5-triol|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-isopropylsulfanyl-tetrahydropyran-3,4,5-triol|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulanyloxane-3,4,5-triol
| Molecular Formula | C9H18O5S |
|---|---|
| Molecular Weight | 238.0875 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0875 |
| Monoisotopic Mass | 238.0875 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| Melting Point | 105.0 |
| GHS Signal | Danger |
| H-Statements | H350, H8000, H3393, H3149 |
Chemical Identifiers
| CAS Number | 367-93-1 |
|---|---|
| SMILES | CC(C)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | BPHPUYQFMNQIOC-NXRLNHOXSA-N |
Product Overview
isopropyl-beta-D-thioglucopyranoside (CAS 367-93-1), with molecular formula C9H18O5S and molecular weight 238.0875 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol.