chempirical

Methyl 1-thio-β-D-galactopyranoside

C7H14O5SCAS 155-30-6210.24 g/mol

Open in Covalent MOL file
SOOHOHOHHO
AlcoholEtherSulfide

Properties

Molecular formula
C7H14O5S
Molar mass
210.24 g/mol
Exact mass
210.0562 Da
Melting point
174–175 °C
logP
-1.85Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
155-30-6
SMILES
CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey
LZFNFLTVAMOOPJ-PZRMXXKTSA-N
InChI
InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • β-D-Galactopyranoside, methyl 1-thio-
  • Galactopyranoside, methyl 1-thio-, β-D-
  • TMG
  • Thiomethyl β-D-galactopyranoside
  • Methyl β-thiogalactoside
  • Methyl β-D-thiogalactopyranoside
  • Methyl 1-thio-β-D-galactoside

Work with Methyl 1-thio-β-D-galactopyranoside

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

Isopropyl β-D-1-thiogalactopyranoside367-93-164 % similar N-Heptyl β-D-thioglucoside85618-20-855 % similar N-Octyl beta-D-thioglucopyranoside85618-21-955 % similar D-Galactopyranose10257-28-052 % similar β-D-Glucose492-61-552 % similar α-D-Glucose492-62-652 % similar β-D-Allopyranose7283-09-252 % similar Trehalose99-20-752 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook