chempirical

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. Search the SDS library

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

Weigh it out

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 Mannose3458-28-461 % similar Glucose50-99-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook