| CAS Number | 13533-58-9 |
| Catalog Number | AG009EQC(AGN-PC-0PKKF5) |
| Chemical Name | Ethylα-Thioglucopyranoside |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol |
| 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-JAJWTYFOSA-N |
| MDL Number | MFCD07369395 |
| Molecular Formula | C8H16O5S |
| Molecular Weight | 224.2746 |
| SMILES | CCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Synonyms | 13533-58-9,
Ethyl |A-Thioglucopyranoside,
Ethyl 1-Thio-|A-D-glucopyranoside,
Ethyl-1-thio-|A-D-glucopyranoside,
ethyl 1-thio-alpha-d-glucopyranoside,
SCHEMBL7154429,
DTXSID50706181,
ZINC77292438,
1-(Ethylthio)-1-deoxy-alpha-D-glucopyranose,
FT-0668404,
Ethyl a-Thioglucopyranoside,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.271g/mol |
| Monoisotopic Mass | 224.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number