Thioglucose

C6H12O5SCAS 20408-97-3196.22 g/mol

Open in Covalent MOL file
OOHOHOHSHOH
AlcoholAldehydeThiol

Properties

Molecular formula
C6H12O5S
Molar mass
196.22 g/mol
Exact mass
196.0405 Da
Melting point
135.5 °C
logP
-2.44Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20408-97-3
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO
InChIKey
IJJLRUSZMLMXCN-SLPGGIOYSA-N
InChI
InChI=1S/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • D-Glucose, 5-thio-
  • 5-Thio-D-glucose
  • NSC 204984
  • 5-Thioglucose

Work with Thioglucose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Mannose10030-80-561 % similar L-Galactose15572-79-961 % similar Altrose1990-29-061 % similar L-Talose23567-25-161 % similar Allose2595-97-361 % similar Talose2595-98-461 % similar Demannose3458-28-461 % similar Glucose50-99-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook